N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide

• ChemBase ID: 382290
• Molecular Formular: C14H18N4OS
• Molecular Mass: 290.38392
• Monoisotopic Mass: 290.12013222
• SMILES: C(=O)(c1cc(ncc1)NC)N(CCc1c(ncs1)C)C
• Canonical SMILES: CNc1nccc(c1)C(=O)N(CCc1scnc1C)C
• InChI: InChI=1S/C14H18N4OS/c1-10-12(20-9-17-10)5-7-18(3)14(19)11-4-6-16-13(8-11)15-2/h4,6,8-9H,5,7H2,1-3H3,(H,15,16)
• InChIKey: NJVZNDJSCABJGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
• Synonyms: N-methyl-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]isonicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.96579087
• LogD (pH = 7.4): 1.0552607
• Log P: 1.0565381
• Molar Refractivity: 82.3422 cm^3
• Polarizability: 29.9207 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.74
• LOG S: -1.95
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 5