N-(3-ethoxypropyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 527920
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C19H21N3O2/c1-2-24-12-6-11-20-19(23)16-9-10-18-21-17(14-22(18)13-16)15-7-4-3-5-8-15/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,20,23)
• InChIKey: PYXVFEFVOMBMJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethoxypropyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(3-ethoxypropyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(3-ethoxypropyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.242837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.045489
• LogD (pH = 7.4): 2.2336695
• Log P: 2.2367337
• Molar Refractivity: 95.3332 cm^3
• Polarizability: 36.98031 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.62
• LOG S: -3.8
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7