N-methyl-2-(methylamino)-N-(pyridin-2-yl)acetamide

• ChemBase ID: 267651
• Molecular Formular: C9H13N3O
• Molecular Mass: 179.21902
• Monoisotopic Mass: 179.10586205
• SMILES: N(C(=O)CNC)(c1ncccc1)C
• Canonical SMILES: CNCC(=O)N(c1ccccn1)C
• InChI: InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3
• InChIKey: NMGYUUWTXRESMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)-N-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(methylamino)-N-(pyridin-2-yl)acetamide
• Synonyms: N-methyl-2-(methylamino)-N-(pyridin-2-yl)acetamide

Database IDs

• MDL Number: MFCD11128717
• PubChem SID: 164323561
• PubChem CID: 28376525

CALCULATED PROPERTIES

• Acid pKa: 17.465975
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7795687
• LogD (pH = 7.4): -1.0814556
• Log P: -0.039742094
• Molar Refractivity: 50.3278 cm^3
• Polarizability: 19.520554 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 110°C
• Hydrophobicity(logP): -0.701

Product Information

• Purity: 95%