L8Y

4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide

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

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count18
2D diagram of L8Y

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Chemical Component Summary

Name4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)4-[(2-aminocarbonylphenyl)amino]-6-[(5-fluoranylpyridin-2-yl)amino]-~{N}-methyl-pyridine-3-carboxamide
FormulaC19 H17 F N6 O2
Molecular Weight380.376
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(=O)N)C(NC)=O)F
SMILESCACTVS3.385CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F
Canonical SMILESCACTVS3.385 CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(N)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F
InChIInChI1.03 InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)
InChIKeyInChI1.03 FFYLSLMDLCQSRS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118473558