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

• ChemBase ID: 816694
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: n1c(noc1CN(C(=O)C1CN(C(=O)C1)Cc1ncccc1)C)C1CC1
• Canonical SMILES: O=C(N(Cc1onc(n1)C1CC1)C)C1CC(=O)N(C1)Cc1ccccn1
• InChI: InChI=1S/C18H21N5O3/c1-22(11-15-20-17(21-26-15)12-5-6-12)18(25)13-8-16(24)23(9-13)10-14-4-2-3-7-19-14/h2-4,7,12-13H,5-6,8-11H2,1H3
• InChIKey: LTIPYIYGTUBNNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.3346117
• LogD (pH = 7.4): 0.35217226
• Log P: 0.35240108
• Molar Refractivity: 93.3689 cm^3
• Polarizability: 35.346184 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: -1.64
• LOG S: -0.4
• Polar Surface Area: 92.43 Å^2
• Rotatable Bonds: 6