N-methyl-2-[(5-{4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl}pyridin-2-yl)amino]acetamide

• ChemBase ID: 816584
• Molecular Formular: C19H27N5O3
• Molecular Mass: 373.44938
• Monoisotopic Mass: 373.21138975
• SMILES: C(=O)(N1CCC(CN2C(=O)CCC2)CC1)c1cnc(NCC(=O)NC)cc1
• Canonical SMILES: CNC(=O)CNc1ccc(cn1)C(=O)N1CCC(CC1)CN1CCCC1=O
• InChI: InChI=1S/C19H27N5O3/c1-20-17(25)12-22-16-5-4-15(11-21-16)19(27)23-9-6-14(7-10-23)13-24-8-2-3-18(24)26/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,20,25)(H,21,22)
• InChIKey: ZFLDEEQQSKBWLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[(5-{4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl}pyridin-2-yl)amino]acetamide
• IUPAC Traditional name: N-methyl-2-[(5-{4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl}pyridin-2-yl)amino]acetamide
• Synonyms: N~1~-methyl-N~2~-[5-({4-[(2-oxopyrrolidin-1-yl)methyl]piperidin-1-yl}carbonyl)pyridin-2-yl]glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.716507
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1504627
• LogD (pH = 7.4): -1.0447212
• Log P: -1.0431776
• Molar Refractivity: 103.5193 cm^3
• Polarizability: 38.35666 Å^3
• Polar Surface Area: 94.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.37
• LOG S: -2.06
• Polar Surface Area: 94.64 Å^2
• Rotatable Bonds: 6