N-methyl-2-(methylamino)-N-(prop-2-en-1-yl)pyridine-4-carboxamide

• ChemBase ID: 531887
• Molecular Formular: C11H15N3O
• Molecular Mass: 205.2563
• Monoisotopic Mass: 205.12151212
• SMILES: C(=O)(c1cc(ncc1)NC)N(CC=C)C
• Canonical SMILES: C=CCN(C(=O)c1ccnc(c1)NC)C
• InChI: InChI=1S/C11H15N3O/c1-4-7-14(3)11(15)9-5-6-13-10(8-9)12-2/h4-6,8H,1,7H2,2-3H3,(H,12,13)
• InChIKey: YWYGYEKGPLXMJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)-N-(prop-2-en-1-yl)pyridine-4-carboxamide
• IUPAC Traditional name: N-methyl-2-(methylamino)-N-(prop-2-en-1-yl)pyridine-4-carboxamide
• Synonyms: N-allyl-N-methyl-2-(methylamino)isonicotinamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 0.84
• LOG S: -1.41
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1

JChem

• Molar Refractivity: 62.4429 cm^3
• Polarizability: 22.367764 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7630348
• LogD (pH = 7.4): 0.8507999
• Log P: 0.8520513