N-(2,3-dihydro-1H-inden-2-yl)-2-(pyridin-3-yl)acetamide

• ChemBase ID: 408257
• Molecular Formular: C16H16N2O
• Molecular Mass: 252.31104
• Monoisotopic Mass: 252.12626314
• SMILES: C(=O)(NC1Cc2c(C1)cccc2)Cc1cnccc1
• Canonical SMILES: O=C(Cc1cccnc1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C16H16N2O/c19-16(8-12-4-3-7-17-11-12)18-15-9-13-5-1-2-6-14(13)10-15/h1-7,11,15H,8-10H2,(H,18,19)
• InChIKey: NXTFRKBJFWQCCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.32691
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8418027
• LogD (pH = 7.4): 1.921698
• Log P: 1.922845
• Molar Refractivity: 74.275 cm^3
• Polarizability: 28.712175 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 1
• Log P: 2.36
• LOG S: -1.76