N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C24H28F3N3O — CID 5050639

About N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 5050639) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 5050639
• Molecular Formula: C24H28F3N3O
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
• SMILES: CCCCCCNC(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2c(C)cccn12
• InChI: InChI=1S/C24H28F3N3O/c1-3-4-5-6-12-28-22(31)15-20(18-10-7-11-19(14-18)24(25,26)27)21-16-29-23-17(2)9-8-13-30(21)23/h7-11,13-14,16,20H,3-6,12,15H2,1-2H3,(H,28,31)
• InChIKey: UYZHRKLCJMGYGQ-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 5050639) is N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is CCCCCCNC(=O)CC(c1cccc(C(F)(F)F)c1)c1cnc2c(C)cccn12.

What is the InChIKey of N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The InChIKey is UYZHRKLCJMGYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c1-3-4-5-6-12-28-22(31)15-20(18-10-7-11-19(14-18)24(25,26)27)21-16-29-23-17(2)9-8-13-30(21)23/h7-11,13-14,16,20H,3-6,12,15H2,1-2H3,(H,28,31).

What are the key properties of N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 5.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 5050639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).