6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C22H16F10N4O2 — CID 139446118

About 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 139446118) has the molecular formula C22H16F10N4O2 and a molecular weight of 558.38 g/mol. Its IUPAC name is 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 139446118
• Molecular Formula: C22H16F10N4O2
• Molecular Weight: 558.38 g/mol
• Exact Mass: 558.11
• IUPAC Name: 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CN(c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)CC(F)(F)F)cn2-c1c(F)cc(F)cc1F)C(F)(F)F
• InChI: InChI=1S/C22H16F10N4O2/c1-20(2,8-21(27,28)29)34-19(38)11-7-36(15-12(24)4-9(23)5-13(15)25)17-10(16(11)37)6-14(26)18(33-17)35(3)22(30,31)32/h4-7H,8H2,1-3H3,(H,34,38)
• InChIKey: YAJAWALYNOWIIK-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.38
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 139446118) is 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CN(c1nc2c(cc1F)c(=O)c(C(=O)NC(C)(C)CC(F)(F)F)cn2-c1c(F)cc(F)cc1F)C(F)(F)F.

What is the InChIKey of 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is YAJAWALYNOWIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F10N4O2/c1-20(2,8-21(27,28)29)34-19(38)11-7-36(15-12(24)4-9(23)5-13(15)25)17-10(16(11)37)6-14(26)18(33-17)35(3)22(30,31)32/h4-7H,8H2,1-3H3,(H,34,38).

What are the key properties of 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 558.38 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-[methyl(trifluoromethyl)amino]-4-oxo-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 139446118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).