N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

• ChemBase ID: 605074
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: n1c(noc1C1CCC1)CN(C(=O)C1CN(C(=O)C1)Cc1ncccc1)C
• Canonical SMILES: O=C(N(Cc1noc(n1)C1CCC1)C)C1CC(=O)N(C1)Cc1ccccn1
• InChI: InChI=1S/C19H23N5O3/c1-23(12-16-21-18(27-22-16)13-5-4-6-13)19(26)14-9-17(25)24(10-14)11-15-7-2-3-8-20-15/h2-3,7-8,13-14H,4-6,9-12H2,1H3
• InChIKey: LREBVGCGTZCLBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(2-pyridinylmethyl)-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7548509
• LogD (pH = 7.4): 0.77241147
• Log P: 0.7726403
• Molar Refractivity: 97.9699 cm^3
• Polarizability: 37.1767 Å^3
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.69
• LOG S: -1.31
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 6