2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide

C18H11ClN4O — CID 138683242

IUPAC2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide
SMILESN#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccn3)nc2)c1
InChIInChI=1S/C18H11ClN4O/c19-15-6-4-12(10-20)9-14(15)18(24)23-13-5-7-17(22-11-13)16-3-1-2-8-21-16/h1-9,11H,(H,23,24)
InChIKeyHSWJQQXVPVALPE-UHFFFAOYSA-N
MW334.77 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide

2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide (PubChem CID 138683242) has the molecular formula C18H11ClN4O and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide
PubChem CID138683242
Molecular FormulaC18H11ClN4O
Molecular Weight334.77 g/mol
Exact Mass334.06
IUPAC Name2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide
SMILESN#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccn3)nc2)c1
InChIInChI=1S/C18H11ClN4O/c19-15-6-4-12(10-20)9-14(15)18(24)23-13-5-7-17(22-11-13)16-3-1-2-8-21-16/h1-9,11H,(H,23,24)
InChIKeyHSWJQQXVPVALPE-UHFFFAOYSA-N
XLogP3.92
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
CID 60704758
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
methyl 3-[4-[(2-chloro-5-cyanobenzoyl)amino]phenyl]-2-methylpropanoate
CID 23384187
2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 87001678
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131937130
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide (CID 138683242) is 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide is N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccn3)nc2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide?
The InChIKey is HSWJQQXVPVALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O/c19-15-6-4-12(10-20)9-14(15)18(24)23-13-5-7-17(22-11-13)16-3-1-2-8-21-16/h1-9,11H,(H,23,24).
What are the key properties of 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide?
2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide has a molecular weight of 334.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(6-pyridin-2-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 138683242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).