N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide

• ChemBase ID: 426026
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(C(=O)NCCC2OCCN(C2)CC)c(nccc1)NC
• Canonical SMILES: CCN1CCOC(C1)CCNC(=O)c1cccnc1NC
• InChI: InChI=1S/C15H24N4O2/c1-3-19-9-10-21-12(11-19)6-8-18-15(20)13-5-4-7-17-14(13)16-2/h4-5,7,12H,3,6,8-11H2,1-2H3,(H,16,17)(H,18,20)
• InChIKey: RTSPYQJTXHPLSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
• Synonyms: N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-(methylamino)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.262012
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.3563153
• LogD (pH = 7.4): 0.4848802
• Log P: 0.82380426
• Molar Refractivity: 84.7613 cm^3
• Polarizability: 31.477592 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.87
• LOG S: -2.93
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 6