N-(4-ethylpyridin-2-yl)-4-{[(2-hydroxyethyl)(methyl)amino]methyl}benzamide

• ChemBase ID: 693819
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: C(=O)(Nc1nccc(c1)CC)c1ccc(CN(CCO)C)cc1
• Canonical SMILES: OCCN(Cc1ccc(cc1)C(=O)Nc1nccc(c1)CC)C
• InChI: InChI=1S/C18H23N3O2/c1-3-14-8-9-19-17(12-14)20-18(23)16-6-4-15(5-7-16)13-21(2)10-11-22/h4-9,12,22H,3,10-11,13H2,1-2H3,(H,19,20,23)
• InChIKey: UOWHHZCVOSPULP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethylpyridin-2-yl)-4-{[(2-hydroxyethyl)(methyl)amino]methyl}benzamide
• IUPAC Traditional name: N-(4-ethylpyridin-2-yl)-4-{[(2-hydroxyethyl)(methyl)amino]methyl}benzamide
• Synonyms: N-(4-ethylpyridin-2-yl)-4-{[(2-hydroxyethyl)(methyl)amino]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.937168
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.0912216
• LogD (pH = 7.4): 1.6822017
• Log P: 2.6512005
• Molar Refractivity: 94.2253 cm^3
• Polarizability: 35.152287 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.33
• LOG S: -3.47
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 7