2-amino-2-methyl-N-(6-methylpyridin-2-yl)propanamide

• ChemBase ID: 273712
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(Nc1nc(ccc1)C)C(N)(C)C
• Canonical SMILES: Cc1cccc(n1)NC(=O)C(N)(C)C
• InChI: InChI=1S/C10H15N3O/c1-7-5-4-6-8(12-7)13-9(14)10(2,3)11/h4-6H,11H2,1-3H3,(H,12,13,14)
• InChIKey: RVXRGUIVYLLMMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-N-(6-methylpyridin-2-yl)propanamide
• IUPAC Traditional name: 2-amino-2-methyl-N-(6-methylpyridin-2-yl)propanamide
• Synonyms: 2-amino-2-methyl-N-(6-methylpyridin-2-yl)propanamide

Database IDs

• MDL Number: MFCD14608617
• PubChem SID: 164329622
• PubChem CID: 52055257

CALCULATED PROPERTIES

• Acid pKa: 11.747092
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.910883
• LogD (pH = 7.4): -0.31363046
• Log P: 0.79651177
• Molar Refractivity: 56.236 cm^3
• Polarizability: 21.285471 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.698

Product Information

• Purity: 95%