N-(6-methoxy-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-(pyridin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 598071
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: C(=O)(N1C(c2cnccc2)CCCC1)Nc1cc2[nH]c(=O)[nH]c2cc1OC
• Canonical SMILES: COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C19H21N5O3/c1-27-17-10-14-13(21-18(25)22-14)9-15(17)23-19(26)24-8-3-2-6-16(24)12-5-4-7-20-11-12/h4-5,7,9-11,16H,2-3,6,8H2,1H3,(H,23,26)(H2,21,22,25)
• InChIKey: RKJMOHCHABDKIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxy-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-(pyridin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(6-methoxy-2-oxo-1,3-dihydro-1,3-benzodiazol-5-yl)-2-(pyridin-3-yl)piperidine-1-carboxamide
• Synonyms: N-(6-methoxy-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.698512
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.6876336
• LogD (pH = 7.4): 1.7552158
• Log P: 1.756189
• Molar Refractivity: 104.059 cm^3
• Polarizability: 37.658245 Å^3
• Polar Surface Area: 95.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.53
• LOG S: -1.89
• Polar Surface Area: 103.11 Å^2
• Rotatable Bonds: 3