N-(pyrazin-2-yl)-2-{[2-(pyridin-3-yloxy)propyl]amino}acetamide

• ChemBase ID: 844911
• Molecular Formular: C14H17N5O2
• Molecular Mass: 287.31708
• Monoisotopic Mass: 287.13822481
• SMILES: N(C(=O)CNCC(Oc1cnccc1)C)c1nccnc1
• Canonical SMILES: CC(Oc1cccnc1)CNCC(=O)Nc1cnccn1
• InChI: InChI=1S/C14H17N5O2/c1-11(21-12-3-2-4-15-8-12)7-17-10-14(20)19-13-9-16-5-6-18-13/h2-6,8-9,11,17H,7,10H2,1H3,(H,18,19,20)
• InChIKey: BJIIJZLHKBOQPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyrazin-2-yl)-2-{[2-(pyridin-3-yloxy)propyl]amino}acetamide
• IUPAC Traditional name: N-(pyrazin-2-yl)-2-{[2-(pyridin-3-yloxy)propyl]amino}acetamide
• Synonyms: N-pyrazin-2-yl-2-{[2-(pyridin-3-yloxy)propyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.338415
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.792811
• LogD (pH = 7.4): -1.0014213
• Log P: -0.2785284
• Molar Refractivity: 77.8691 cm^3
• Polarizability: 29.86265 Å^3
• Polar Surface Area: 89.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.65
• LOG S: -1.85
• Polar Surface Area: 89.03 Å^2
• Rotatable Bonds: 7