N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-(morpholin-4-yl)pyridine-3-carboxamide

• ChemBase ID: 836107
• Molecular Formular: C21H27N3O4
• Molecular Mass: 385.45678
• Monoisotopic Mass: 385.20015636
• SMILES: c1(c(N2CCOCC2)nccc1)C(=O)N(CCCOc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)OCCCN(C(=O)c1cccnc1N1CCOCC1)C
• InChI: InChI=1S/C21H27N3O4/c1-23(11-4-14-28-18-8-6-17(26-2)7-9-18)21(25)19-5-3-10-22-20(19)24-12-15-27-16-13-24/h3,5-10H,4,11-16H2,1-2H3
• InChIKey: AKWKZOCTTSAGOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-(morpholin-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-(morpholin-4-yl)pyridine-3-carboxamide
• Synonyms: N-[3-(4-methoxyphenoxy)propyl]-N-methyl-2-morpholin-4-ylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.9526374
• LogD (pH = 7.4): 2.081957
• Log P: 2.0839047
• Molar Refractivity: 108.4703 cm^3
• Polarizability: 40.903008 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.55
• LOG S: -4.19
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 8