7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide

C23H22F4N4O5 — CID 69482162

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482162) has the molecular formula C23H22F4N4O5 and a molecular weight of 510.44 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482162
• Molecular Formula: C23H22F4N4O5
• Molecular Weight: 510.44 g/mol
• Exact Mass: 510.15
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
• SMILES: COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O
• InChI: InChI=1S/C23H22F4N4O5/c1-36-7-6-28-21(34)18-20(33)19-16(31(22(18)35)11-17(32)30-12-23(25,26)27)9-14(10-29-19)8-13-2-4-15(24)5-3-13/h2-5,9-10,33H,6-8,11-12H2,1H3,(H,28,34)(H,30,32)
• InChIKey: ZEGNINTUGJBHLO-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 122.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.44
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482162) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide.

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

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NCC(F)(F)F)c1=O.

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

The InChIKey is ZEGNINTUGJBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O5/c1-36-7-6-28-21(34)18-20(33)19-16(31(22(18)35)11-17(32)30-12-23(25,26)27)9-14(10-29-19)8-13-2-4-15(24)5-3-13/h2-5,9-10,33H,6-8,11-12H2,1H3,(H,28,34)(H,30,32).

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 510.44 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).