N'-(2-ethoxyphenyl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}propanediamide

• ChemBase ID: 570867
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(Nc1c(OCC)cccc1)CC(=O)NCCNc1ncccc1C
• Canonical SMILES: CCOc1ccccc1NC(=O)CC(=O)NCCNc1ncccc1C
• InChI: InChI=1S/C19H24N4O3/c1-3-26-16-9-5-4-8-15(16)23-18(25)13-17(24)20-11-12-22-19-14(2)7-6-10-21-19/h4-10H,3,11-13H2,1-2H3,(H,20,24)(H,21,22)(H,23,25)
• InChIKey: RJZVFSMJZDYMCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-ethoxyphenyl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}propanediamide
• IUPAC Traditional name: N'-(2-ethoxyphenyl)-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}propanediamide
• Synonyms: N-(2-ethoxyphenyl)-N'-{2-[(3-methylpyridin-2-yl)amino]ethyl}malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.164553
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.63091135
• LogD (pH = 7.4): 1.713282
• Log P: 1.8837602
• Molar Refractivity: 102.6764 cm^3
• Polarizability: 37.91342 Å^3
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.12
• LOG S: -3.61
• Polar Surface Area: 92.35 Å^2
• Rotatable Bonds: 9