N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 648074
• Molecular Formular: C16H16N4O
• Molecular Mass: 280.32444
• Monoisotopic Mass: 280.13241115
• SMILES: c1(cn2c(ncc2)cc1)C(=O)N[C@H](c1ncccc1C)C
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N[C@H](c1ncccc1C)C
• InChI: InChI=1S/C16H16N4O/c1-11-4-3-7-18-15(11)12(2)19-16(21)13-5-6-14-17-8-9-20(14)10-13/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1
• InChIKey: DKZLNTFGVFJASV-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[(1S)-1-(3-methylpyridin-2-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.235693
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8257477
• LogD (pH = 7.4): 1.4789258
• Log P: 1.504324
• Molar Refractivity: 81.3801 cm^3
• Polarizability: 30.260159 Å^3
• Polar Surface Area: 59.29 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: 1.44
• LOG S: -1.18
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 3