N-ethyl-N-{1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl}acetamide

• ChemBase ID: 765324
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: N1(C(=O)c2cc(ncc2)NC)CC(N(C(=O)C)CC)CC1
• Canonical SMILES: CCN(C1CCN(C1)C(=O)c1ccnc(c1)NC)C(=O)C
• InChI: InChI=1S/C15H22N4O2/c1-4-19(11(2)20)13-6-8-18(10-13)15(21)12-5-7-17-14(9-12)16-3/h5,7,9,13H,4,6,8,10H2,1-3H3,(H,16,17)
• InChIKey: NLGOHZBQMPPAFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl}acetamide
• IUPAC Traditional name: N-ethyl-N-{1-[2-(methylamino)pyridine-4-carbonyl]pyrrolidin-3-yl}acetamide
• Synonyms: N-ethyl-N-{1-[2-(methylamino)isonicotinoyl]pyrrolidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.41737065
• LogD (pH = 7.4): -0.3298966
• Log P: -0.32864985
• Molar Refractivity: 82.8857 cm^3
• Polarizability: 30.479399 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.48
• LOG S: -1.73
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4