N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-(methylamino)acetamide

• ChemBase ID: 632347
• Molecular Formular: C13H19N3O
• Molecular Mass: 233.30946
• Monoisotopic Mass: 233.15281224
• SMILES: C(C1CC1)(c1nccc(c1)C)NC(=O)CNC
• Canonical SMILES: CNCC(=O)NC(c1nccc(c1)C)C1CC1
• InChI: InChI=1S/C13H19N3O/c1-9-5-6-15-11(7-9)13(10-3-4-10)16-12(17)8-14-2/h5-7,10,13-14H,3-4,8H2,1-2H3,(H,16,17)
• InChIKey: FLVPOCHEVMPBHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-(methylamino)acetamide
• IUPAC Traditional name: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2-(methylamino)acetamide
• Synonyms: N~1~-[cyclopropyl(4-methylpyridin-2-yl)methyl]-N~2~-methylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.212956
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2505786
• LogD (pH = 7.4): -0.6188431
• Log P: 0.7960658
• Molar Refractivity: 66.1589 cm^3
• Polarizability: 26.084764 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.24
• LOG S: -0.71
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 5