1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide

C24H21ClN2O3 — CID 112837431

About 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 112837431) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
• PubChem CID: 112837431
• Molecular Formula: C24H21ClN2O3
• Molecular Weight: 420.90 g/mol
• Exact Mass: 420.12
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
• SMILES: Cc1c(C(C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)oc2ccccc12
• InChI: InChI=1S/C24H21ClN2O3/c1-15-19-8-4-6-10-21(19)30-23(15)16(2)26-24(29)18-11-12-22(28)27(14-18)13-17-7-3-5-9-20(17)25/h3-12,14,16H,13H2,1-2H3,(H,26,29)
• InChIKey: HWORRPBTWVSKJQ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 64.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.90
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide (CID 112837431) is 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide is Cc1c(C(C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)oc2ccccc12.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide?

The InChIKey is HWORRPBTWVSKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-15-19-8-4-6-10-21(19)30-23(15)16(2)26-24(29)18-11-12-22(28)27(14-18)13-17-7-3-5-9-20(17)25/h3-12,14,16H,13H2,1-2H3,(H,26,29).

What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide?

1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 112837431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).