1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide

C23H15ClF3N3O2 — CID 26844238

About 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 26844238) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
• PubChem CID: 26844238
• Molecular Formula: C23H15ClF3N3O2
• Molecular Weight: 457.84 g/mol
• Exact Mass: 457.08
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
• InChI: InChI=1S/C23H15ClF3N3O2/c24-17-8-6-14(7-9-17)13-30-20-15(3-2-10-28-20)11-19(22(30)32)21(31)29-18-5-1-4-16(12-18)23(25,26)27/h1-12H,13H2,(H,29,31)
• InChIKey: MFAQMMINNOHBQH-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.84
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 26844238) is 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.

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

The InChIKey is MFAQMMINNOHBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-17-8-6-14(7-9-17)13-30-20-15(3-2-10-28-20)11-19(22(30)32)21(31)29-18-5-1-4-16(12-18)23(25,26)27/h1-12H,13H2,(H,29,31).

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

1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 457.84 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).