UIW

5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

Created:2023-09-05
Last modified:  2023-11-22

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Chemical Details

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

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Chemical Component Summary

Name5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)5-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-~{N}-methyl-6-[(2-methylphenyl)amino]pyridine-3-carboxamide
FormulaC21 H18 Br F N4 O2
Molecular Weight457.296
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC
SMILESCACTVS3.385CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(Br)c3)c1
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)Br)F
Canonical SMILESCACTVS3.385 CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)cc(Br)c3)c1
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)Br)F
InChIInChI1.06 InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29)
InChIKeyInChI1.06 CJLMSAJFQMAPAZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 169410452