N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methylprop-2-en-1-yl)propanamide

• ChemBase ID: 832466
• Molecular Formular: C16H21N3O
• Molecular Mass: 271.35744
• Monoisotopic Mass: 271.16846231
• SMILES: n12c(nc(c1)CCC(=O)N(CC(=C)C)CC)cccc2
• Canonical SMILES: CCN(C(=O)CCc1nc2n(c1)cccc2)CC(=C)C
• InChI: InChI=1S/C16H21N3O/c1-4-18(11-13(2)3)16(20)9-8-14-12-19-10-6-5-7-15(19)17-14/h5-7,10,12H,2,4,8-9,11H2,1,3H3
• InChIKey: OGMBVFMLTGQQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methylprop-2-en-1-yl)propanamide
• IUPAC Traditional name: N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-(2-methylprop-2-en-1-yl)propanamide
• Synonyms: N-ethyl-3-imidazo[1,2-a]pyridin-2-yl-N-(2-methylprop-2-en-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.94823384
• LogD (pH = 7.4): 1.660239
• Log P: 1.6876109
• Molar Refractivity: 81.2301 cm^3
• Polarizability: 30.826792 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.83
• LOG S: -2.74
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 6