936
  -OEChem-04260609192D

 15 15  0     0  0  0  0  0  0999 V2000
    2.0000    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
936

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAQAAAADADBmgQ8gJJIEACoAjF3VACCgCA1AiAI2CE4ZNgIIPrA1ZGEIYhggADIycYYAQAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nicotinamide

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/f/h7H2

> <PUBCHEM_CACTVS_XLOGP>
-0.491

> <PUBCHEM_CACTVS_EXACT_MASS>
122.048

> <PUBCHEM_OPENEYE_MF>
C6H6N2O

> <PUBCHEM_OPENEYE_MW>
122.125

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CN=C1)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CN=C1)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
55.98

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
122.048

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_SUBSTANCE_ID>
150480

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000098920

> <PUBCHEM_SUBSTANCE_SYNONYM>
123574-63-0
3-Carbamoylpyridine
3-Pyridinecarboxamide
3-Pyridinecarboxylic acid amide
37321-14-5
78731-47-2
98-92-0
AI3-02906
Amid kyseliny nikotinove [Czech]
Aminicotin
Amixicotyn
Amnicotin
Austrovit PP
Benicot
CCRIS 1901
DEA No. 1405
Delonin amide
Dipegyl
EINECS 202-713-4
Endobion
HSDB 1237
Hansamid
Inovitan PP
Mediatric
NAM
NICOTINAMIDE
NSC 13128
Nandervit-N
Niacevit
Niacinamide
Niacinamide [USAN]
Niamide
Niavit PP
Nicamina
Nicamindon
Nicasir
Nicobion
Nicofort
Nicogen
Nicomidol
Nicosan 2
Nicosylamide
Nicota
Nicotamide
Nicotilamide
Nicotililamido
Nicotinamida [INN-Spanish]
Nicotinamidum [INN-Latin]
Nicotine acid amide
Nicotine amide
Nicotinic acid amide
Nicotinic amide
Nicotinsaureamid [German]
Nicotol
Nicotylamide
Nicotylamidum
Nicovit
Nicovitina
Nicovitol
Nicozymin
Niko-Tamin
Nikotinamid
Nikotinsaeureamid [German]
Niocinamide
Niozymin
Papulex
Pelmine
Pelonin amide
Pyridine, 3-carbamoyl-
Pyridine-3-carboxylic acid amide
Savacotyl
VI-Nicotyl
Vitamin B
Vitamin B (VAN)
Vitamin B3
beta-Pyridinecarboxamide
m-(Aminocarbonyl)pyridine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
123574-63-0
37321-14-5
78731-47-2
98-92-0

> <PUBCHEM_XREF_EXT_ID>
000098920

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000098920

> <PUBCHEM_CID_ASSOCIATIONS>
936  1

> <PUBCHEM_BONDANNOTATIONS>
3  6  8
3  7  8
5  6  8
5  8  8
7  9  8
8  9  8

$$$$