N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide

C23H15F5N4O — CID 90227538

About N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide

N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide (PubChem CID 90227538) has the molecular formula C23H15F5N4O and a molecular weight of 458.39 g/mol. Its IUPAC name is N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide
• PubChem CID: 90227538
• Molecular Formula: C23H15F5N4O
• Molecular Weight: 458.39 g/mol
• Exact Mass: 458.12
• IUPAC Name: N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide
• SMILES: O=C(N[C@@H](c1ccc(CF)c(F)c1)c1ncccc1C(F)(F)F)c1ccc2cccnc2n1
• InChI: InChI=1S/C23H15F5N4O/c24-12-15-6-5-14(11-17(15)25)19(20-16(23(26,27)28)4-2-9-29-20)32-22(33)18-8-7-13-3-1-10-30-21(13)31-18/h1-11,19H,12H2,(H,32,33)/t19-/m0/s1
• InChIKey: QYVKSDASPMTZEB-IBGZPJMESA-N
• XLogP: 5.17
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.39
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide (CID 90227538) is N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide.

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

The canonical SMILES for N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide is O=C(N[C@@H](c1ccc(CF)c(F)c1)c1ncccc1C(F)(F)F)c1ccc2cccnc2n1.

What is the InChIKey of N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide?

The InChIKey is QYVKSDASPMTZEB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H15F5N4O/c24-12-15-6-5-14(11-17(15)25)19(20-16(23(26,27)28)4-2-9-29-20)32-22(33)18-8-7-13-3-1-10-30-21(13)31-18/h1-11,19H,12H2,(H,32,33)/t19-/m0/s1.

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

N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 458.39 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[3-fluoro-4-(fluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 90227538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).