N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)oxolane-2-carboxamide

• ChemBase ID: 854343
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c12n(cc(n1)CNC(=O)C1OCCC1)cccc2C
• Canonical SMILES: O=C(C1CCCO1)NCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C14H17N3O2/c1-10-4-2-6-17-9-11(16-13(10)17)8-15-14(18)12-5-3-7-19-12/h2,4,6,9,12H,3,5,7-8H2,1H3,(H,15,18)
• InChIKey: UDNCQKFWMONYLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)oxolane-2-carboxamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)oxolane-2-carboxamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.206068
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.037490677
• LogD (pH = 7.4): 0.7181137
• Log P: 0.74268997
• Molar Refractivity: 72.1123 cm^3
• Polarizability: 27.279686 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.07
• LOG S: -2.46
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3