2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C27H24ClN3O2 — CID 23040706

About 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040706) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 23040706
• Molecular Formula: C27H24ClN3O2
• Molecular Weight: 457.96 g/mol
• Exact Mass: 457.16
• IUPAC Name: 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)c2c(-c3ccccc3Cl)n(Cc3cccnc3)c(C)cc2=O)c1C
• InChI: InChI=1S/C27H24ClN3O2/c1-17-8-6-12-23(19(17)3)30-27(33)25-24(32)14-18(2)31(16-20-9-7-13-29-15-20)26(25)21-10-4-5-11-22(21)28/h4-15H,16H2,1-3H3,(H,30,33)
• InChIKey: ZTEFYAMOUGYNPG-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 23040706) is 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2c(-c3ccccc3Cl)n(Cc3cccnc3)c(C)cc2=O)c1C.

What is the InChIKey of 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

The InChIKey is ZTEFYAMOUGYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-17-8-6-12-23(19(17)3)30-27(33)25-24(32)14-18(2)31(16-20-9-7-13-29-15-20)26(25)21-10-4-5-11-22(21)28/h4-15H,16H2,1-3H3,(H,30,33).

What are the key properties of 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?

2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).