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

C26H22ClN3O2 — CID 23040445

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

N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040445) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 23040445
• Molecular Formula: C26H22ClN3O2
• Molecular Weight: 443.93 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccn1
• InChI: InChI=1S/C26H22ClN3O2/c1-17-9-3-4-11-20(17)25-24(26(32)29-22-13-6-5-12-21(22)27)23(31)15-18(2)30(25)16-19-10-7-8-14-28-19/h3-15H,16H2,1-2H3,(H,29,32)
• InChIKey: QWICTTORNLFQHG-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.93
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 23040445) is N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

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

The canonical SMILES for N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccn1.

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

The InChIKey is QWICTTORNLFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-17-9-3-4-11-20(17)25-24(26(32)29-22-13-6-5-12-21(22)27)23(31)15-18(2)30(25)16-19-10-7-8-14-28-19/h3-15H,16H2,1-2H3,(H,29,32).

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

N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).