N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)oxolane-2-carboxamide

• ChemBase ID: 601199
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(N(Cc2ccccc2)C)c(CNC(=O)C2OCCC2)cccn1
• Canonical SMILES: O=C(C1CCCO1)NCc1cccnc1N(Cc1ccccc1)C
• InChI: InChI=1S/C19H23N3O2/c1-22(14-15-7-3-2-4-8-15)18-16(9-5-11-20-18)13-21-19(23)17-10-6-12-24-17/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,21,23)
• InChIKey: BDPRHPYGRWOBSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)oxolane-2-carboxamide
• IUPAC Traditional name: N-({2-[benzyl(methyl)amino]pyridin-3-yl}methyl)oxolane-2-carboxamide
• Synonyms: N-({2-[benzyl(methyl)amino]-3-pyridinyl}methyl)tetrahydro-2-furancarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.42
• LOG S: -3.2
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 94.9127 cm^3
• Polarizability: 36.060013 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.983594
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8822147
• LogD (pH = 7.4): 2.5471127
• Log P: 2.570795