1-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

• ChemBase ID: 823173
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: N1(C(=O)CC(C(=O)N(Cc2cnccc2)CCCn2cncc2)C1)C1CC1
• Canonical SMILES: O=C(N(Cc1cccnc1)CCCn1cncc1)C1CC(=O)N(C1)C1CC1
• InChI: InChI=1S/C20H25N5O2/c26-19-11-17(14-25(19)18-4-5-18)20(27)24(13-16-3-1-6-21-12-16)9-2-8-23-10-7-22-15-23/h1,3,6-7,10,12,15,17-18H,2,4-5,8-9,11,13-14H2
• InChIKey: NJMFWVOMRFMNGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-[3-(imidazol-1-yl)propyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-[3-(1H-imidazol-1-yl)propyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0027305
• LogD (pH = 7.4): -0.46729472
• Log P: -0.39761987
• Molar Refractivity: 101.3289 cm^3
• Polarizability: 38.907883 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.77
• LOG S: -1.23
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 8