N-(2,3-dihydro-1H-inden-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

• ChemBase ID: 679975
• Molecular Formular: C18H21N3O
• Molecular Mass: 295.37884
• Monoisotopic Mass: 295.16846231
• SMILES: C(=O)(NC1Cc2c(C1)cccc2)CN(Cc1ccncc1)C
• Canonical SMILES: CN(Cc1ccncc1)CC(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C18H21N3O/c1-21(12-14-6-8-19-9-7-14)13-18(22)20-17-10-15-4-2-3-5-16(15)11-17/h2-9,17H,10-13H2,1H3,(H,20,22)
• InChIKey: AYBZYDZZOSHAKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
• Synonyms: N~1~-(2,3-dihydro-1H-inden-2-yl)-N~2~-methyl-N~2~-(pyridin-4-ylmethyl)glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.274597
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3806284
• LogD (pH = 7.4): 1.6061375
• Log P: 1.7044768
• Molar Refractivity: 87.5947 cm^3
• Polarizability: 33.924458 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.98
• LOG S: -2.6
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5