N-ethyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

• ChemBase ID: 571678
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)N(CCn1nccc1)CC
• Canonical SMILES: CCN(C(=O)Cn1cccc(c1=O)OC)CCn1cccn1
• InChI: InChI=1S/C15H20N4O3/c1-3-17(10-11-19-9-5-7-16-19)14(20)12-18-8-4-6-13(22-2)15(18)21/h4-9H,3,10-12H2,1-2H3
• InChIKey: SPLDHRHVOLLWBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
• IUPAC Traditional name: N-ethyl-2-(3-methoxy-2-oxopyridin-1-yl)-N-[2-(pyrazol-1-yl)ethyl]acetamide
• Synonyms: N-ethyl-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.278208
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.18880978
• LogD (pH = 7.4): -0.18867895
• Log P: -0.18867728
• Molar Refractivity: 95.1018 cm^3
• Polarizability: 31.17243 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.05
• LOG S: -2.69
• Polar Surface Area: 69.36 Å^2
• Rotatable Bonds: 7