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

• ChemBase ID: 764765
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: n12c(nc(c1)CCC(=O)NC(C1=CCCCC1)C)cccc2
• Canonical SMILES: O=C(NC(C1=CCCCC1)C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C18H23N3O/c1-14(15-7-3-2-4-8-15)19-18(22)11-10-16-13-21-12-6-5-9-17(21)20-16/h5-7,9,12-14H,2-4,8,10-11H2,1H3,(H,19,22)
• InChIKey: CBWPHHMTWAXLJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.6201
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5963695
• LogD (pH = 7.4): 2.3083763
• Log P: 2.3357484
• Molar Refractivity: 89.0769 cm^3
• Polarizability: 33.781837 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.03
• LOG S: -3.96
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 5