N,N-dimethyl-5-({methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amino}methyl)pyridin-2-amine

• ChemBase ID: 827348
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: n1(ncc(c1)CN(Cc1cnc(N(C)C)cc1)C)c1ccccc1
• Canonical SMILES: CN(Cc1ccc(nc1)N(C)C)Cc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C19H23N5/c1-22(2)19-10-9-16(11-20-19)13-23(3)14-17-12-21-24(15-17)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3
• InChIKey: WFEFGXOPLYYAJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-({methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amino}methyl)pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-({methyl[(1-phenylpyrazol-4-yl)methyl]amino}methyl)pyridin-2-amine
• Synonyms: N,N-dimethyl-5-({methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amino}methyl)-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2488874
• LogD (pH = 7.4): 2.8842442
• Log P: 3.209763
• Molar Refractivity: 100.1602 cm^3
• Polarizability: 38.00675 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.94
• LOG S: -3.05
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6