N,N-dimethyl-3-(pyridin-4-yl)propanamide

• ChemBase ID: 82869
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N(C(=O)CCc1ccncc1)(C)C
• Canonical SMILES: CN(C(=O)CCc1ccncc1)C
• InChI: InChI=1S/C10H14N2O/c1-12(2)10(13)4-3-9-5-7-11-8-6-9/h5-8H,3-4H2,1-2H3
• InChIKey: YESFJLBISUFNFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(pyridin-4-yl)propanamide
• IUPAC Traditional name: N,N-dimethyl-3-(pyridin-4-yl)propanamide
• Synonyms: N,N-dimethyl-3-pyridin-4-ylpropanamide

Database IDs

• MDL Number: MFCD01570525
• PubChem SID: 162069988
• PubChem CID: 2779232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.361734
• LogD (pH = 7.4): 0.4765589
• Log P: 0.47829986
• Molar Refractivity: 51.4253 cm^3
• Polarizability: 19.841002 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true