2-(morpholine-4-carbonyl)-N-[4-(pyridin-2-yl)butyl]pyridin-4-amine

• ChemBase ID: 543557
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: C(=O)(c1cc(NCCCCc2ncccc2)ccn1)N1CCOCC1
• Canonical SMILES: O=C(c1nccc(c1)NCCCCc1ccccn1)N1CCOCC1
• InChI: InChI=1S/C19H24N4O2/c24-19(23-11-13-25-14-12-23)18-15-17(7-10-22-18)21-9-4-2-6-16-5-1-3-8-20-16/h1,3,5,7-8,10,15H,2,4,6,9,11-14H2,(H,21,22)
• InChIKey: FRJJCRMICXORQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholine-4-carbonyl)-N-[4-(pyridin-2-yl)butyl]pyridin-4-amine
• IUPAC Traditional name: 2-(morpholine-4-carbonyl)-N-[4-(pyridin-2-yl)butyl]pyridin-4-amine
• Synonyms: 2-(4-morpholinylcarbonyl)-N-[4-(2-pyridinyl)butyl]-4-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8463934
• LogD (pH = 7.4): 1.2446828
• Log P: 1.252209
• Molar Refractivity: 97.6581 cm^3
• Polarizability: 36.723175 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.27
• LOG S: -1.47
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 7