4-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-N-methylpyridin-2-amine

• ChemBase ID: 865773
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: N1(C(=O)c2cc(ncc2)NC)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: CNc1nccc(c1)C(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C22H23N3O3/c1-23-21-13-18(7-8-24-21)22(26)25-9-10-28-20(14-25)17-4-3-16-12-19(27-2)6-5-15(16)11-17/h3-8,11-13,20H,9-10,14H2,1-2H3,(H,23,24)
• InChIKey: JFFFUERDHQXQFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-N-methylpyridin-2-amine
• IUPAC Traditional name: 4-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]-N-methylpyridin-2-amine
• Synonyms: 4-{[2-(6-methoxy-2-naphthyl)morpholin-4-yl]carbonyl}-N-methylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4308221
• LogD (pH = 7.4): 2.5171187
• Log P: 2.5183468
• Molar Refractivity: 109.5509 cm^3
• Polarizability: 42.18147 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.53
• LOG S: -4.11
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 4