1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

C27H25FN4O5 — CID 69480963

About 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69480963) has the molecular formula C27H25FN4O5 and a molecular weight of 504.52 g/mol. Its IUPAC name is 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69480963
• Molecular Formula: C27H25FN4O5
• Molecular Weight: 504.52 g/mol
• Exact Mass: 504.18
• IUPAC Name: 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: CC(=O)Nc1ccc(Cn2c(=O)c(C(=O)NCCO)c(O)c3ncc(Cc4ccc(F)cc4)cc32)cc1
• InChI: InChI=1S/C27H25FN4O5/c1-16(34)31-21-8-4-18(5-9-21)15-32-22-13-19(12-17-2-6-20(28)7-3-17)14-30-24(22)25(35)23(27(32)37)26(36)29-10-11-33/h2-9,13-14,33,35H,10-12,15H2,1H3,(H,29,36)(H,31,34)
• InChIKey: KLYWPWHRIUKHKW-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 133.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.52
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69480963) is 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CC(=O)Nc1ccc(Cn2c(=O)c(C(=O)NCCO)c(O)c3ncc(Cc4ccc(F)cc4)cc32)cc1.

What is the InChIKey of 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is KLYWPWHRIUKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O5/c1-16(34)31-21-8-4-18(5-9-21)15-32-22-13-19(12-17-2-6-20(28)7-3-17)14-30-24(22)25(35)23(27(32)37)26(36)29-10-11-33/h2-9,13-14,33,35H,10-12,15H2,1H3,(H,29,36)(H,31,34).

What are the key properties of 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 504.52 g/mol, XLogP of 2.56, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-acetamidophenyl)methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).