1-ethyl-6-methyl-4-oxo-N-(propan-2-yl)-2-propyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 510128
• Molecular Formular: C22H34N4O2
• Molecular Mass: 386.53096
• Monoisotopic Mass: 386.26817635
• SMILES: c1(C(=O)N(Cc2c(n(nc2C)C)C)C(C)C)c(n(c(cc1=O)C)CC)CCC
• Canonical SMILES: CCCc1n(CC)c(C)cc(=O)c1C(=O)N(C(C)C)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C22H34N4O2/c1-9-11-19-21(20(27)12-15(5)25(19)10-2)22(28)26(14(3)4)13-18-16(6)23-24(8)17(18)7/h12,14H,9-11,13H2,1-8H3
• InChIKey: SGLIEWJBVANARZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-6-methyl-4-oxo-N-(propan-2-yl)-2-propyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-isopropyl-6-methyl-4-oxo-2-propyl-N-[(trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
• Synonyms: 1-ethyl-N-isopropyl-6-methyl-4-oxo-2-propyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,4-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.867072
• LogD (pH = 7.4): 2.8691182
• Log P: 2.8691442
• Molar Refractivity: 128.5374 cm^3
• Polarizability: 43.087902 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -3.34
• Polar Surface Area: 60.13 Å^2
• Rotatable Bonds: 7