LAJ

N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide

Created:2019-02-15
Last modified:  2019-07-31

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count18
2D diagram of LAJ

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Chemical Component Summary

NameN-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-methyl-4-[(2-methylsulfonylphenyl)amino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
FormulaC18 H18 N6 O3 S
Molecular Weight398.439
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(Nc1nnc(c(c1)Nc2c(cccc2)S(C)(=O)=O)C(NC)=O)ccccn3
SMILESCACTVS3.385CNC(=O)c1nnc(Nc2ccccn2)cc1Nc3ccccc3[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C
Canonical SMILESCACTVS3.385 CNC(=O)c1nnc(Nc2ccccn2)cc1Nc3ccccc3[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1c(cc(nn1)Nc2ccccn2)Nc3ccccc3S(=O)(=O)C
InChIInChI1.03 InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)
InChIKeyInChI1.03 KUHISBZXQSKCLH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138756257