2-[cyclohexyl(methyl)amino]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

• ChemBase ID: 693652
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c1(c(N(C2CCCCC2)C)nccc1)C(=O)N(Cc1nc(no1)C)C
• Canonical SMILES: CN(C(=O)c1cccnc1N(C1CCCCC1)C)Cc1onc(n1)C
• InChI: InChI=1S/C18H25N5O2/c1-13-20-16(25-21-13)12-22(2)18(24)15-10-7-11-19-17(15)23(3)14-8-5-4-6-9-14/h7,10-11,14H,4-6,8-9,12H2,1-3H3
• InChIKey: AWSYYJYDBXIBGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclohexyl(methyl)amino]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
• IUPAC Traditional name: 2-[cyclohexyl(methyl)amino]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
• Synonyms: 2-[cyclohexyl(methyl)amino]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.593558
• LogD (pH = 7.4): 2.7360487
• Log P: 2.7382233
• Molar Refractivity: 97.7093 cm^3
• Polarizability: 35.745293 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -2.99
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 5