L91

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide

Created:2019-02-14
Last modified:  2019-07-24

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count49
Aromatic Bond Count18
2D diagram of L91

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Chemical Component Summary

Name6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-[(5-fluoranylpyridin-2-yl)amino]-~{N}-methyl-4-[(2-methylsulfonylphenyl)amino]pyridine-3-carboxamide
FormulaC19 H18 F N5 O3 S
Molecular Weight415.441
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)S(C)(=O)=O)C(NC)=O)F
SMILESCACTVS3.385CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F
Canonical SMILESCACTVS3.385 CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F
InChIInChI1.03 InChI=1S/C19H18FN5O3S/c1-21-19(26)13-11-23-18(25-17-8-7-12(20)10-22-17)9-15(13)24-14-5-3-4-6-16(14)29(2,27)28/h3-11H,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyInChI1.03 SYYQNYIBIFOCPS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 90153688