N-(butan-2-yl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 745839
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: c1(C(=O)N(C2CCCC2)C(CC)C)cn2c(ncc2)cc1
• Canonical SMILES: CCC(N(C(=O)c1ccc2n(c1)ccn2)C1CCCC1)C
• InChI: InChI=1S/C17H23N3O/c1-3-13(2)20(15-6-4-5-7-15)17(21)14-8-9-16-18-10-11-19(16)12-14/h8-13,15H,3-7H2,1-2H3
• InChIKey: NEVQZJPMRVHFOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-(sec-butyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(sec-butyl)-N-cyclopentylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.081787
• LogD (pH = 7.4): 2.6838396
• Log P: 2.7081492
• Molar Refractivity: 84.9128 cm^3
• Polarizability: 31.963648 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.75
• LOG S: -3.63
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4