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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).