2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide

• ChemBase ID: 268078
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: N(c1nccc(c1)C)C(=O)CNC
• Canonical SMILES: CNCC(=O)Nc1nccc(c1)C
• InChI: InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)
• InChIKey: MKMXMYQLOQBORD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: 2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide
• Synonyms: 2-(methylamino)-N-(4-methylpyridin-2-yl)acetamide

Database IDs

• MDL Number: MFCD11131873
• PubChem SID: 164323988
• PubChem CID: 28399469

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1245172
• LogD (pH = 7.4): -0.42273808
• Log P: 0.60961324
• Molar Refractivity: 52.2531 cm^3
• Polarizability: 19.443527 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 11.839422

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.421

Product Information

• Purity: 95%