5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C27H26F3N3O2 — CID 134808817

About 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134808817) has the molecular formula C27H26F3N3O2 and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
• PubChem CID: 134808817
• Molecular Formula: C27H26F3N3O2
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.20
• IUPAC Name: 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
• SMILES: CC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)Nc4cccc(C(F)(F)F)c4)cc32)cc1
• InChI: InChI=1S/C27H26F3N3O2/c1-17(2)19-10-8-18(9-11-19)13-25(34)33-12-4-7-23-24(33)14-20(16-31-23)26(35)32-22-6-3-5-21(15-22)27(28,29)30/h3,5-6,8-11,14-17H,4,7,12-13H2,1-2H3,(H,32,35)
• InChIKey: NKAKJEMPBWBDEG-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134808817) is 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is CC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)Nc4cccc(C(F)(F)F)c4)cc32)cc1.

What is the InChIKey of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

The InChIKey is NKAKJEMPBWBDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O2/c1-17(2)19-10-8-18(9-11-19)13-25(34)33-12-4-7-23-24(33)14-20(16-31-23)26(35)32-22-6-3-5-21(15-22)27(28,29)30/h3,5-6,8-11,14-17H,4,7,12-13H2,1-2H3,(H,32,35).

What are the key properties of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134808817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).