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

C24H26FN5O5 — CID 69482646

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482646) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482646
• Molecular Formula: C24H26FN5O5
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.19
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
• SMILES: COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCNC2=O)c1=O
• InChI: InChI=1S/C24H26FN5O5/c1-35-11-7-26-22(32)19-21(31)20-18(30(23(19)33)10-9-29-8-6-27-24(29)34)13-16(14-28-20)12-15-2-4-17(25)5-3-15/h2-5,13-14,31H,6-12H2,1H3,(H,26,32)(H,27,34)
• InChIKey: MPPKYMNEIGIUTH-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 125.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	1.23
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-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482646) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)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-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCNC2=O)c1=O.

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

The InChIKey is MPPKYMNEIGIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-35-11-7-26-22(32)19-21(31)20-18(30(23(19)33)10-9-29-8-6-27-24(29)34)13-16(14-28-20)12-15-2-4-17(25)5-3-15/h2-5,13-14,31H,6-12H2,1H3,(H,26,32)(H,27,34).

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 1.23, 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-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).