N-[1-(cyclohex-1-en-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 323796
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC(C1=CCCCC1)C
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NC(C1=CCCCC1)C
• InChI: InChI=1S/C17H21N3O/c1-12-10-20-11-15(8-9-16(20)18-12)17(21)19-13(2)14-6-4-3-5-7-14/h6,8-11,13H,3-5,7H2,1-2H3,(H,19,21)
• InChIKey: QHCQFNFSARUCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohex-1-en-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(cyclohex-1-en-1-yl)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(1-cyclohex-1-en-1-ylethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.38864
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5133481
• LogD (pH = 7.4): 2.1475227
• Log P: 2.1684685
• Molar Refractivity: 85.4398 cm^3
• Polarizability: 31.646759 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.32
• LOG S: -4.1
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3