1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide

C24H23ClN2O4 — CID 24560428

About 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide (PubChem CID 24560428) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide
• PubChem CID: 24560428
• Molecular Formula: C24H23ClN2O4
• Molecular Weight: 438.91 g/mol
• Exact Mass: 438.13
• IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1ccc(=O)n(Cc3ccccc3Cl)c1)OC(C)C2
• InChI: InChI=1S/C24H23ClN2O4/c1-3-30-22-11-18-10-15(2)31-21(18)12-20(22)26-24(29)17-8-9-23(28)27(14-17)13-16-6-4-5-7-19(16)25/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,29)
• InChIKey: CYOVVBVAGOCTHV-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.91
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide (CID 24560428) is 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide is CCOc1cc2c(cc1NC(=O)c1ccc(=O)n(Cc3ccccc3Cl)c1)OC(C)C2.

What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide?

The InChIKey is CYOVVBVAGOCTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-3-30-22-11-18-10-15(2)31-21(18)12-20(22)26-24(29)17-8-9-23(28)27(14-17)13-16-6-4-5-7-19(16)25/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,29).

What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide?

1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide has a molecular weight of 438.91 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)methyl]-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 24560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).