2-butoxy-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 375673
• Molecular Formular: C13H21N3O2
• Molecular Mass: 251.32474
• Monoisotopic Mass: 251.16337693
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COCCCC
• Canonical SMILES: CCCCOCC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C13H21N3O2/c1-2-3-8-18-10-13(17)15-12-9-14-11-6-4-5-7-16(11)12/h9H,2-8,10H2,1H3,(H,15,17)
• InChIKey: AMFQFKPSTHSLRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butoxy-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: 2-butoxy-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-butoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.127293
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.68142617
• LogD (pH = 7.4): 1.3208604
• Log P: 1.3498671
• Molar Refractivity: 70.2898 cm^3
• Polarizability: 26.580835 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.71
• LOG S: -2.49
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6