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

C24H20FN3O2 — CID 7620990

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

1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 7620990) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 7620990
• Molecular Formula: C24H20FN3O2
• Molecular Weight: 401.44 g/mol
• Exact Mass: 401.15
• IUPAC Name: 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O)c1ccccc1
• InChI: InChI=1S/C24H20FN3O2/c1-16(17-8-3-2-4-9-17)27-23(29)20-14-18-11-7-13-26-22(18)28(24(20)30)15-19-10-5-6-12-21(19)25/h2-14,16H,15H2,1H3,(H,27,29)/t16-/m1/s1
• InChIKey: QRAISIVVHQETLY-MRXNPFEDSA-N
• XLogP: 4.07
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.44
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide (CID 7620990) is 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide is C[C@@H](NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O)c1ccccc1.

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

The InChIKey is QRAISIVVHQETLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16(17-8-3-2-4-9-17)27-23(29)20-14-18-11-7-13-26-22(18)28(24(20)30)15-19-10-5-6-12-21(19)25/h2-14,16H,15H2,1H3,(H,27,29)/t16-/m1/s1.

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

1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).