N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C31H26FN3O2 — CID 26844208

About N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 26844208) has the molecular formula C31H26FN3O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 26844208
• Molecular Formula: C31H26FN3O2
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
• InChI: InChI=1S/C31H26FN3O2/c32-26-15-13-22(14-16-26)21-35-29-25(12-7-18-33-29)20-28(31(35)37)30(36)34-19-17-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-16,18,20,27H,17,19,21H2,(H,34,36)
• InChIKey: DSXIGFOBRRFTLB-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 26844208) is N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.

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

The InChIKey is DSXIGFOBRRFTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O2/c32-26-15-13-22(14-16-26)21-35-29-25(12-7-18-33-29)20-28(31(35)37)30(36)34-19-17-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-16,18,20,27H,17,19,21H2,(H,34,36).

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

N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).