2-methyl-N-(oxan-3-yl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 539952
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC1COCCC1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NC1CCCOC1
• InChI: InChI=1S/C14H17N3O2/c1-10-7-17-8-11(4-5-13(17)15-10)14(18)16-12-3-2-6-19-9-12/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,16,18)
• InChIKey: GDZPFZUGBZTJKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(oxan-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-methyl-N-(oxan-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-methyl-N-(tetrahydro-2H-pyran-3-yl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.346937
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.27179295
• LogD (pH = 7.4): 0.36284557
• Log P: 0.38382497
• Molar Refractivity: 72.7577 cm^3
• Polarizability: 27.07385 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.71
• LOG S: -1.7
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 2