2-(methylamino)-N-(5-methylpyridin-2-yl)acetamide

• ChemBase ID: 268062
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: N(c1ncc(cc1)C)C(=O)CNC
• Canonical SMILES: CNCC(=O)Nc1ccc(cn1)C
• InChI: InChI=1S/C9H13N3O/c1-7-3-4-8(11-5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)
• InChIKey: PREWFIYFJIZHFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(5-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: 2-(methylamino)-N-(5-methylpyridin-2-yl)acetamide
• Synonyms: 2-(methylamino)-N-(5-methylpyridin-2-yl)acetamide

Database IDs

• MDL Number: MFCD11128698
• PubChem SID: 164323972
• PubChem CID: 28376367

CALCULATED PROPERTIES

• Acid pKa: 11.952515
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1327403
• LogD (pH = 7.4): -0.43464372
• Log P: 0.60961324
• Molar Refractivity: 52.2531 cm^3
• Polarizability: 19.444723 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 0.421

Product Information

• Purity: 95%