N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-ethoxy-N-methylpyridine-3-carboxamide

• ChemBase ID: 700717
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(C(=O)N(CCc2c([nH]nc2C)C)C)c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1C(=O)N(CCc1c(C)n[nH]c1C)C
• InChI: InChI=1S/C16H22N4O2/c1-5-22-15-14(7-6-9-17-15)16(21)20(4)10-8-13-11(2)18-19-12(13)3/h6-7,9H,5,8,10H2,1-4H3,(H,18,19)
• InChIKey: YIOGUINYXFITDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-ethoxy-N-methylpyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-ethoxy-N-methylpyridine-3-carboxamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-ethoxy-N-methylnicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.186694
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4919575
• LogD (pH = 7.4): 1.4953662
• Log P: 1.4954098
• Molar Refractivity: 87.0944 cm^3
• Polarizability: 32.09097 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.97
• LOG S: -3.09
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 6