N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

• ChemBase ID: 561278
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: n1(ncc(c1)CN(C(=O)CN(Cc1cnccc1)C)C)c1ccccc1
• Canonical SMILES: CN(CC(=O)N(Cc1cnn(c1)c1ccccc1)C)Cc1cccnc1
• InChI: InChI=1S/C20H23N5O/c1-23(13-17-7-6-10-21-11-17)16-20(26)24(2)14-18-12-22-25(15-18)19-8-4-3-5-9-19/h3-12,15H,13-14,16H2,1-2H3
• InChIKey: NITSFFGCPWDBDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
• Synonyms: N~1~,N~2~-dimethyl-N~1~-[(1-phenyl-1H-pyrazol-4-yl)methyl]-N~2~-(3-pyridinylmethyl)glycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.36816114
• LogD (pH = 7.4): 1.5406562
• Log P: 1.6256546
• Molar Refractivity: 103.1183 cm^3
• Polarizability: 39.890198 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.7
• LOG S: -1.9
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 7