6-methyl-N-{3-[(pyridin-3-yl)amino]propyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 845318
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCCCNc1cnccc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCCCNc1cccnc1
• InChI: InChI=1S/C17H19N5O/c1-13-5-6-16-21-15(12-22(16)11-13)17(23)20-9-3-8-19-14-4-2-7-18-10-14/h2,4-7,10-12,19H,3,8-9H2,1H3,(H,20,23)
• InChIKey: DTQSORYVHFPQME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-{3-[(pyridin-3-yl)amino]propyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-methyl-N-[3-(3-pyridinylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.677155
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.531647
• LogD (pH = 7.4): 0.84341925
• Log P: 0.8499238
• Molar Refractivity: 91.572 cm^3
• Polarizability: 33.252613 Å^3
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.61
• LOG S: -1.98
• Polar Surface Area: 71.32 Å^2
• Rotatable Bonds: 6