N-methyl-N-[(3-methylpyridin-4-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 449952
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: C(=O)(N(Cc1c(cncc1)C)C)CCN1OCCCC1
• Canonical SMILES: O=C(N(Cc1ccncc1C)C)CCN1CCCCO1
• InChI: InChI=1S/C15H23N3O2/c1-13-11-16-7-5-14(13)12-17(2)15(19)6-9-18-8-3-4-10-20-18/h5,7,11H,3-4,6,8-10,12H2,1-2H3
• InChIKey: UWKRAOWDPQKREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.30828178
• LogD (pH = 7.4): 0.57929325
• Log P: 0.5846596
• Molar Refractivity: 78.3778 cm^3
• Polarizability: 30.463924 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.03
• LOG S: -1.26
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5