N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide

C31H26ClN3O2 — CID 43996238

About N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide

N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 43996238) has the molecular formula C31H26ClN3O2 and a molecular weight of 508.02 g/mol. Its IUPAC name is N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 43996238
• Molecular Formula: C31H26ClN3O2
• Molecular Weight: 508.02 g/mol
• Exact Mass: 507.17
• IUPAC Name: N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)N(CCc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C31H26ClN3O2/c32-27-15-13-25(14-16-27)22-35-29-26(12-7-18-33-29)20-28(31(35)37)30(36)34(21-24-10-5-2-6-11-24)19-17-23-8-3-1-4-9-23/h1-16,18,20H,17,19,21-22H2
• InChIKey: PQFYSWUTFOJNRK-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 55.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.02
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide (CID 43996238) is N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide is O=C(c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)N(CCc1ccccc1)Cc1ccccc1.

What is the InChIKey of N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is PQFYSWUTFOJNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O2/c32-27-15-13-25(14-16-27)22-35-29-26(12-7-18-33-29)20-28(31(35)37)30(36)34(21-24-10-5-2-6-11-24)19-17-23-8-3-1-4-9-23/h1-16,18,20H,17,19,21-22H2.

What are the key properties of N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide?

N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 508.02 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).