4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide

• ChemBase ID: 416778
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: C(=O)(N1CCC(Cc2nc(on2)C)CC1)Nc1c2c(nnc(c2)C)ccc1
• Canonical SMILES: Cc1onc(n1)CC1CCN(CC1)C(=O)Nc1cccc2c1cc(C)nn2
• InChI: InChI=1S/C19H22N6O2/c1-12-10-15-16(4-3-5-17(15)23-22-12)21-19(26)25-8-6-14(7-9-25)11-18-20-13(2)27-24-18/h3-5,10,14H,6-9,11H2,1-2H3,(H,21,26)
• InChIKey: SVRLLCVUVKOUNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylcinnolin-5-yl)piperidine-1-carboxamide
• Synonyms: N-(3-methylcinnolin-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.536571
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.670426
• LogD (pH = 7.4): 1.6732726
• Log P: 1.6733121
• Molar Refractivity: 103.8197 cm^3
• Polarizability: 38.71266 Å^3
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.4
• LOG S: -2.21
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 3