6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid

C14H9N3O3 — CID 61319190

IUPAC6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
SMILESN#Cc1cccc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H9N3O3/c15-7-9-2-1-3-10(6-9)13(18)17-12-5-4-11(8-16-12)14(19)20/h1-6,8H,(H,19,20)(H,16,17,18)
InChIKeyIHGPXPNUAIIMBA-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.90
Rot. Bonds3

About 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid

6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 61319190) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID61319190
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid
SMILESN#Cc1cccc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C14H9N3O3/c15-7-9-2-1-3-10(6-9)13(18)17-12-5-4-11(8-16-12)14(19)20/h1-6,8H,(H,19,20)(H,16,17,18)
InChIKeyIHGPXPNUAIIMBA-UHFFFAOYSA-N
XLogP1.90
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(5-iodo-2-pyridinyl)benzamide
CID 65098930
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
3-cyanobenzoic acid;silver
CID 88821173
3-[(3-cyanobenzoyl)amino]-2-methylbenzoic acid
CID 60748959
6-(4-tert-butylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163157

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid (CID 61319190) is 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid is N#Cc1cccc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IHGPXPNUAIIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c15-7-9-2-1-3-10(6-9)13(18)17-12-5-4-11(8-16-12)14(19)20/h1-6,8H,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid?
6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyanobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61319190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).