2-amino-N-methyl-N-[2-(pyridin-2-yl)ethyl]acetamide

• ChemBase ID: 269200
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(N(CCc1ncccc1)C)CN
• Canonical SMILES: NCC(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C10H15N3O/c1-13(10(14)8-11)7-5-9-4-2-3-6-12-9/h2-4,6H,5,7-8,11H2,1H3
• InChIKey: UARNXSMQUXNNEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-[2-(pyridin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-amino-N-methyl-N-[2-(pyridin-2-yl)ethyl]acetamide
• Synonyms: 2-amino-N-methyl-N-[2-(pyridin-2-yl)ethyl]acetamide

Database IDs

• MDL Number: MFCD11131864
• PubChem SID: 164325110
• PubChem CID: 19417691

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2139068
• LogD (pH = 7.4): -1.4864745
• Log P: -0.6817807
• Molar Refractivity: 54.2519 cm^3
• Polarizability: 21.368822 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.575

Product Information

• Purity: 95%