N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C28H27F6N3O2 — CID 23364082

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 23364082) has the molecular formula C28H27F6N3O2 and a molecular weight of 551.53 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
• PubChem CID: 23364082
• Molecular Formula: C28H27F6N3O2
• Molecular Weight: 551.53 g/mol
• Exact Mass: 551.20
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
• SMILES: Cc1ccc(-c2c3c(c(=O)n(C)c2C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(C)CC3)cc1
• InChI: InChI=1S/C28H27F6N3O2/c1-16-5-7-18(8-6-16)23-21-9-10-35(2)15-22(21)25(38)37(4)24(23)26(39)36(3)14-17-11-19(27(29,30)31)13-20(12-17)28(32,33)34/h5-8,11-13H,9-10,14-15H2,1-4H3
• InChIKey: NJCNGTDXKGPFHY-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 45.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.53
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 23364082) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is Cc1ccc(-c2c3c(c(=O)n(C)c2C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(C)CC3)cc1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The InChIKey is NJCNGTDXKGPFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F6N3O2/c1-16-5-7-18(8-6-16)23-21-9-10-35(2)15-22(21)25(38)37(4)24(23)26(39)36(3)14-17-11-19(27(29,30)31)13-20(12-17)28(32,33)34/h5-8,11-13H,9-10,14-15H2,1-4H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 551.53 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2,7-trimethyl-4-(4-methylphenyl)-1-oxo-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 23364082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).