N-{[(3S,4S)-3-hydroxypiperidin-4-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 549401
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: n1c(cn2c1c(ccc2)C)C(=O)NC[C@H]1[C@H](O)CNCC1
• Canonical SMILES: O[C@@H]1CNCC[C@H]1CNC(=O)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C15H20N4O2/c1-10-3-2-6-19-9-12(18-14(10)19)15(21)17-7-11-4-5-16-8-13(11)20/h2-3,6,9,11,13,16,20H,4-5,7-8H2,1H3,(H,17,21)/t11-,13+/m0/s1
• InChIKey: IRSVSNUTRHLZER-WCQYABFASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(3S,4S)-3-hydroxypiperidin-4-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-{[(3S,4S)-3-hydroxypiperidin-4-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{[(3S*,4S*)-3-hydroxypiperidin-4-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.298268
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3643422
• LogD (pH = 7.4): -2.2002115
• Log P: -0.19585045
• Molar Refractivity: 80.8178 cm^3
• Polarizability: 30.373251 Å^3
• Polar Surface Area: 78.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.07
• LOG S: -2.67
• Polar Surface Area: 78.66 Å^2
• Rotatable Bonds: 3