N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamide

• ChemBase ID: 736767
• Molecular Formular: C16H20N4O4
• Molecular Mass: 332.3544
• Monoisotopic Mass: 332.14845514
• SMILES: n1c(onc1CCN(C(=O)Cn1c(=O)c(ccc1)OC)C)C1CC1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)N(CCc1noc(n1)C1CC1)C
• InChI: InChI=1S/C16H20N4O4/c1-19(9-7-13-17-15(24-18-13)11-5-6-11)14(21)10-20-8-3-4-12(23-2)16(20)22/h3-4,8,11H,5-7,9-10H2,1-2H3
• InChIKey: VOTDWOIVHCXWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)-N-methylacetamide
• IUPAC Traditional name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methoxy-2-oxopyridin-1-yl)-N-methylacetamide
• Synonyms: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.32102
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6276053
• LogD (pH = 7.4): 0.6276053
• Log P: 0.6276053
• Molar Refractivity: 88.6395 cm^3
• Polarizability: 32.4192 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.0
• LOG S: -2.08
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 7