N-(4-phenylbutyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 819505
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCCCc1ccccc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCCCCc1ccccc1
• InChI: InChI=1S/C18H19N3O/c22-18(16-9-10-17-19-12-13-21(17)14-16)20-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-14H,4-5,8,11H2,(H,20,22)
• InChIKey: YBOTTZPQUFPRPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-phenylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(4-phenylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(4-phenylbutyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.278413
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1034613
• LogD (pH = 7.4): 2.7111814
• Log P: 2.7361374
• Molar Refractivity: 88.4811 cm^3
• Polarizability: 33.007545 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.12
• LOG S: -4.0
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 6