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

• ChemBase ID: 364414
• Molecular Formular: C12H19N3O3
• Molecular Mass: 253.29756
• Monoisotopic Mass: 253.14264148
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COCCOC
• Canonical SMILES: COCCOCC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H19N3O3/c1-17-6-7-18-9-12(16)14-11-8-13-10-4-2-3-5-15(10)11/h8H,2-7,9H2,1H3,(H,14,16)
• InChIKey: BYDSSSNPCFDSHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.127244
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.68944764
• LogD (pH = 7.4): -0.050014045
• Log P: -0.021007456
• Molar Refractivity: 67.4597 cm^3
• Polarizability: 25.474968 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.06
• LOG S: -2.41
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 6