N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

• ChemBase ID: 430748
• Molecular Formular: C16H22N4O3
• Molecular Mass: 318.37088
• Monoisotopic Mass: 318.16919058
• SMILES: n1c(noc1C(C)C)CN(C(=O)CCn1c(=O)cccc1C)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C(C)C)C)CCn1c(C)cccc1=O
• InChI: InChI=1S/C16H22N4O3/c1-11(2)16-17-13(18-23-16)10-19(4)14(21)8-9-20-12(3)6-5-7-15(20)22/h5-7,11H,8-10H2,1-4H3
• InChIKey: IKPUZGRLQGSLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
• IUPAC Traditional name: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-3-(6-methyl-2-oxo-1(2H)-pyridinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4028984
• LogD (pH = 7.4): 1.4028984
• Log P: 1.4028984
• Molar Refractivity: 89.5422 cm^3
• Polarizability: 32.396355 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.32
• LOG S: -3.1
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 6