2-[(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)amino]pyridine-3-carboxamide

• ChemBase ID: 594144
• Molecular Formular: C15H15N5O
• Molecular Mass: 281.3125
• Monoisotopic Mass: 281.12766013
• SMILES: n12c(nc(c1)CCNc1c(C(=O)N)cccn1)cccc2
• Canonical SMILES: NC(=O)c1cccnc1NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H15N5O/c16-14(21)12-4-3-7-17-15(12)18-8-6-11-10-20-9-2-1-5-13(20)19-11/h1-5,7,9-10H,6,8H2,(H2,16,21)(H,17,18)
• InChIKey: VRCBGTPGFHEENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)amino]pyridine-3-carboxamide
• IUPAC Traditional name: 2-[(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)amino]pyridine-3-carboxamide
• Synonyms: 2-[(2-imidazo[1,2-a]pyridin-2-ylethyl)amino]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.790877
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.09565907
• LogD (pH = 7.4): 1.1110556
• Log P: 1.1527107
• Molar Refractivity: 82.155 cm^3
• Polarizability: 29.569267 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.65
• LOG S: -2.66
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 5