N-methyl-N-[1-(pyridin-3-yl)propyl]formamide

• ChemBase ID: 168583
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1cncc(c1)C(N(C)C=O)CC
• Canonical SMILES: CCC(c1cccnc1)N(C=O)C
• InChI: InChI=1S/C10H14N2O/c1-3-10(12(2)8-13)9-5-4-6-11-7-9/h4-8,10H,3H2,1-2H3
• InChIKey: KVCIYYMDEHTYGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(pyridin-3-yl)propyl]formamide
• IUPAC Traditional name: N-methyl-N-[1-(pyridin-3-yl)propyl]formamide
• Synonyms: α-Ethyl-N-formyl-N-methylpyridinemethaneamine; N-Methyl-N-[1-(3-pyridinyl)propyl]formamide

Database IDs

• CAS Number: 887355-12-6
• PubChem SID: 162262715
• PubChem CID: 3650944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.745638
• LogD (pH = 7.4): 0.81330967
• Log P: 0.8142632
• Molar Refractivity: 51.1673 cm^3
• Polarizability: 19.838678 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ether; Water
• Apperance: Clear Viscous Oil
• Boiling Point: 133°C/ 0.15 mmHg