4-(diethylamino)-N-methyl-N-[1-(pyridin-3-yl)ethyl]benzamide

• ChemBase ID: 408870
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: C(=O)(N(C(c1cnccc1)C)C)c1ccc(N(CC)CC)cc1
• Canonical SMILES: CCN(c1ccc(cc1)C(=O)N(C(c1cccnc1)C)C)CC
• InChI: InChI=1S/C19H25N3O/c1-5-22(6-2)18-11-9-16(10-12-18)19(23)21(4)15(3)17-8-7-13-20-14-17/h7-15H,5-6H2,1-4H3
• InChIKey: WMJZXFYKMSJWJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diethylamino)-N-methyl-N-[1-(pyridin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(diethylamino)-N-methyl-N-[1-(pyridin-3-yl)ethyl]benzamide
• Synonyms: 4-(diethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9200966
• LogD (pH = 7.4): 3.0149617
• Log P: 3.0162737
• Molar Refractivity: 95.7301 cm^3
• Polarizability: 35.888367 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.55
• LOG S: -2.35
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6