2,6-dimethyl-N-[1-(methylcarbamoyl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 599099
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n12c(c(nc1ccc(c2)C)C)C(=O)NC1(C(=O)NC)CCCCC1
• Canonical SMILES: CNC(=O)C1(CCCCC1)NC(=O)c1c(C)nc2n1cc(C)cc2
• InChI: InChI=1S/C18H24N4O2/c1-12-7-8-14-20-13(2)15(22(14)11-12)16(23)21-18(17(24)19-3)9-5-4-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,24)(H,21,23)
• InChIKey: SIVNPKVOJVNPGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-N-[1-(methylcarbamoyl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: 2,6-dimethyl-N-[1-(methylcarbamoyl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: 2,6-dimethyl-N-{1-[(methylamino)carbonyl]cyclohexyl}imidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.344337
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1982431
• LogD (pH = 7.4): 1.3189969
• Log P: 1.3207929
• Molar Refractivity: 93.2792 cm^3
• Polarizability: 34.880527 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.74
• LOG S: -3.08
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 3