2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide

C21H15ClN4O2 — CID 87001678

IUPAC2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c1
InChIInChI=1S/C21H15ClN4O2/c22-19-11-16(26-20(27)15-5-3-4-14(10-15)12-23)7-8-18(19)21(28)25-13-17-6-1-2-9-24-17/h1-11H,13H2,(H,25,28)(H,26,27)
InChIKeyTWVDYGQGERQRRF-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide

2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 87001678) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID87001678
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c1
InChIInChI=1S/C21H15ClN4O2/c22-19-11-16(26-20(27)15-5-3-4-14(10-15)12-23)7-8-18(19)21(28)25-13-17-6-1-2-9-24-17/h1-11H,13H2,(H,25,28)(H,26,27)
InChIKeyTWVDYGQGERQRRF-UHFFFAOYSA-N
XLogP3.79
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 78886067
2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 112833812
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
2-chloro-4-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 47042298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide (CID 87001678) is 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide is N#Cc1cccc(C(=O)Nc2ccc(C(=O)NCc3ccccn3)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is TWVDYGQGERQRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c22-19-11-16(26-20(27)15-5-3-4-14(10-15)12-23)7-8-18(19)21(28)25-13-17-6-1-2-9-24-17/h1-11H,13H2,(H,25,28)(H,26,27).
What are the key properties of 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide?
2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 390.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 87001678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).