N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H27F3N4O3 — CID 121257521

About N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 121257521) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 121257521
• Molecular Formula: C26H27F3N4O3
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.20
• IUPAC Name: N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC1CCN(C(=O)Nc2cccc(OCCCCO)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21
• InChI: InChI=1S/C26H27F3N4O3/c1-17-12-13-33(25(35)32-22-8-5-9-23(31-22)36-15-3-2-14-34)24-20(17)10-11-21(30-24)18-6-4-7-19(16-18)26(27,28)29/h4-11,16-17,34H,2-3,12-15H2,1H3,(H,31,32,35)
• InChIKey: WNUMXFZCHNGXCY-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 87.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 121257521) is N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC1CCN(C(=O)Nc2cccc(OCCCCO)n2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21.

What is the InChIKey of N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is WNUMXFZCHNGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-17-12-13-33(25(35)32-22-8-5-9-23(31-22)36-15-3-2-14-34)24-20(17)10-11-21(30-24)18-6-4-7-19(16-18)26(27,28)29/h4-11,16-17,34H,2-3,12-15H2,1H3,(H,31,32,35).

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

N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 500.52 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-hydroxybutoxy)-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 121257521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).