2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 551536
• Molecular Formular: C13H19N5O3
• Molecular Mass: 293.32166
• Monoisotopic Mass: 293.14878949
• SMILES: n1(c(nc2c1ncc(C(=O)NCCOCCO)c2)N)CC
• Canonical SMILES: OCCOCCNC(=O)c1cnc2c(c1)nc(n2CC)N
• InChI: InChI=1S/C13H19N5O3/c1-2-18-11-10(17-13(18)14)7-9(8-16-11)12(20)15-3-5-21-6-4-19/h7-8,19H,2-6H2,1H3,(H2,14,17)(H,15,20)
• InChIKey: SCWGVKLWPKCDKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: 2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
• Synonyms: 2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-3H-imidazo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.275324
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.8533192
• LogD (pH = 7.4): -0.81812865
• Log P: -0.81765944
• Molar Refractivity: 77.8941 cm^3
• Polarizability: 29.40326 Å^3
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.5
• LOG S: -1.67
• Polar Surface Area: 115.29 Å^2
• Rotatable Bonds: 7