N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 699497
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: N1(OCCCC1)CCC(=O)NCCNc1nccc(c1)C
• Canonical SMILES: O=C(CCN1CCCCO1)NCCNc1nccc(c1)C
• InChI: InChI=1S/C15H24N4O2/c1-13-4-6-16-14(12-13)17-7-8-18-15(20)5-10-19-9-2-3-11-21-19/h4,6,12H,2-3,5,7-11H2,1H3,(H,16,17)(H,18,20)
• InChIKey: AQONCUSWOYPYNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.694421
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8521787
• LogD (pH = 7.4): 0.21144862
• Log P: 0.50546694
• Molar Refractivity: 83.4648 cm^3
• Polarizability: 31.612915 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.07
• LOG S: -3.1
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 7