2-amino-N-(3-cyano-2-pyridinyl)benzamide

C13H10N4O — CID 110474340

IUPAC2-amino-N-(3-cyano-2-pyridinyl)benzamide
SMILESN#Cc1cccnc1NC(=O)c1ccccc1N
InChIInChI=1S/C13H10N4O/c14-8-9-4-3-7-16-12(9)17-13(18)10-5-1-2-6-11(10)15/h1-7H,15H2,(H,16,17,18)
InChIKeyCCWOMIZSMKERII-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-N-(3-cyano-2-pyridinyl)benzamide

2-amino-N-(3-cyano-2-pyridinyl)benzamide (PubChem CID 110474340) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-2-pyridinyl)benzamide
PubChem CID110474340
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-amino-N-(3-cyano-2-pyridinyl)benzamide
SMILESN#Cc1cccnc1NC(=O)c1ccccc1N
InChIInChI=1S/C13H10N4O/c14-8-9-4-3-7-16-12(9)17-13(18)10-5-1-2-6-11(10)15/h1-7H,15H2,(H,16,17,18)
InChIKeyCCWOMIZSMKERII-UHFFFAOYSA-N
XLogP1.79
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
N-(3-cyano-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 110470804
N-(3-cyano-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110471770
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
3-amino-N-(3-hydroxy-2-pyridinyl)naphthalene-2-carboxamide
CID 115597396
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103
4-amino-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 81235852
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
N-(2-cyanophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 110299301
1-(4-chlorophenyl)-3-(3-cyano-2-pyridinyl)urea
CID 110473501

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-2-pyridinyl)benzamide?
The IUPAC name of 2-amino-N-(3-cyano-2-pyridinyl)benzamide (CID 110474340) is 2-amino-N-(3-cyano-2-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-cyano-2-pyridinyl)benzamide?
The canonical SMILES for 2-amino-N-(3-cyano-2-pyridinyl)benzamide is N#Cc1cccnc1NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(3-cyano-2-pyridinyl)benzamide?
The InChIKey is CCWOMIZSMKERII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-8-9-4-3-7-16-12(9)17-13(18)10-5-1-2-6-11(10)15/h1-7H,15H2,(H,16,17,18).
What are the key properties of 2-amino-N-(3-cyano-2-pyridinyl)benzamide?
2-amino-N-(3-cyano-2-pyridinyl)benzamide has a molecular weight of 238.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyano-2-pyridinyl)benzamide is sourced from PubChem (CID 110474340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).