2-methoxy-N-methyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine-4-carboxamide

• ChemBase ID: 604328
• Molecular Formular: C16H15N5O3
• Molecular Mass: 325.322
• Monoisotopic Mass: 325.11748937
• SMILES: n1c(noc1CN(C(=O)c1cc(ncc1)OC)C)c1ncccc1
• Canonical SMILES: COc1nccc(c1)C(=O)N(Cc1onc(n1)c1ccccn1)C
• InChI: InChI=1S/C16H15N5O3/c1-21(16(22)11-6-8-18-13(9-11)23-2)10-14-19-15(20-24-14)12-5-3-4-7-17-12/h3-9H,10H2,1-2H3
• InChIKey: ZWEUGJUCMLSOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine-4-carboxamide
• IUPAC Traditional name: 2-methoxy-N-methyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}pyridine-4-carboxamide
• Synonyms: 2-methoxy-N-methyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6398939
• LogD (pH = 7.4): 1.6399187
• Log P: 1.639919
• Molar Refractivity: 96.9875 cm^3
• Polarizability: 32.60808 Å^3
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.13
• LOG S: -2.54
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 5