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

C25H31FN3O6P — CID 143407913

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

1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 143407913) has the molecular formula C25H31FN3O6P and a molecular weight of 519.51 g/mol. Its IUPAC name is 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 143407913
• Molecular Formula: C25H31FN3O6P
• Molecular Weight: 519.51 g/mol
• Exact Mass: 519.19
• IUPAC Name: 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: CCOP(CCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21)OCC
• InChI: InChI=1S/C25H31FN3O6P/c1-3-34-36(35-4-2)13-5-11-29-20-15-18(14-17-6-8-19(26)9-7-17)16-28-22(20)23(31)21(25(29)33)24(32)27-10-12-30/h6-9,15-16,30-31H,3-5,10-14H2,1-2H3,(H,27,32)
• InChIKey: WRMULILXODGKHR-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 122.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.51
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 143407913) is 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CCOP(CCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21)OCC.

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

The InChIKey is WRMULILXODGKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN3O6P/c1-3-34-36(35-4-2)13-5-11-29-20-15-18(14-17-6-8-19(26)9-7-17)16-28-22(20)23(31)21(25(29)33)24(32)27-10-12-30/h6-9,15-16,30-31H,3-5,10-14H2,1-2H3,(H,27,32).

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

1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 519.51 g/mol, XLogP of 3.33, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-diethoxyphosphanylpropyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 143407913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).