5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyridin-3-amine

• ChemBase ID: 484168
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: n1c(c2cc(N)cnc2)ccc(CN2CCOCC2)c1
• Canonical SMILES: Nc1cncc(c1)c1ccc(cn1)CN1CCOCC1
• InChI: InChI=1S/C15H18N4O/c16-14-7-13(9-17-10-14)15-2-1-12(8-18-15)11-19-3-5-20-6-4-19/h1-2,7-10H,3-6,11,16H2
• InChIKey: BQKRKJBDEUOKPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyridin-3-amine
• IUPAC Traditional name: 5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyridin-3-amine
• Synonyms: 5-(morpholin-4-ylmethyl)-2,3'-bipyridin-5'-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8177926
• LogD (pH = 7.4): 0.38754988
• Log P: 0.46494702
• Molar Refractivity: 78.826 cm^3
• Polarizability: 31.334719 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.73
• LOG S: 0.46
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3