N-benzyl-N-(3-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 518342
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: c1(n2c(nc1)cccc2)C(=O)N(CC(CO)C)Cc1ccccc1
• Canonical SMILES: OCC(CN(C(=O)c1cnc2n1cccc2)Cc1ccccc1)C
• InChI: InChI=1S/C19H21N3O2/c1-15(14-23)12-21(13-16-7-3-2-4-8-16)19(24)17-11-20-18-9-5-6-10-22(17)18/h2-11,15,23H,12-14H2,1H3
• InChIKey: JORGOZNENZZCJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(3-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-N-(3-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-benzyl-N-(3-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.4394245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4699228
• LogD (pH = 7.4): 1.5500523
• Log P: 1.5511974
• Molar Refractivity: 94.8724 cm^3
• Polarizability: 35.54252 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.44
• LOG S: -3.64
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 6