N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 751288
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c12n(c(cn1)CC(=O)NCCc1cc3c(OCO3)cc1)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCCc1ccc2c(c1)OCO2
• InChI: InChI=1S/C19H19N3O3/c1-13-3-2-8-22-15(11-21-19(13)22)10-18(23)20-7-6-14-4-5-16-17(9-14)25-12-24-16/h2-5,8-9,11H,6-7,10,12H2,1H3,(H,20,23)
• InChIKey: IMSZZKNLWZKAFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.16856
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0895132
• LogD (pH = 7.4): 1.8325162
• Log P: 1.8838215
• Molar Refractivity: 94.0161 cm^3
• Polarizability: 35.68475 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.17
• LOG S: -3.51
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 5