K0G

N-phenyl-N'-pyridin-3-ylurea

Created:2018-10-25
Last modified:  2018-12-19

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count12
2D diagram of K0G

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Chemical Component Summary

NameN-phenyl-N'-pyridin-3-ylurea
Systematic Name (OpenEye OEToolkits)1-phenyl-3-pyridin-3-yl-urea
FormulaC12 H11 N3 O
Molecular Weight213.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c1cccnc1)C(Nc2ccccc2)=O
SMILESCACTVS3.385O=C(Nc1ccccc1)Nc2cccnc2
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)NC(=O)Nc2cccnc2
Canonical SMILESCACTVS3.385 O=C(Nc1ccccc1)Nc2cccnc2
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)NC(=O)Nc2cccnc2
InChIInChI1.03 InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
InChIKeyInChI1.03 WBKYYDBHEGTTON-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 674807
ChEMBL CHEMBL1412642
CCDC/CSD MEPXEK01, MEPXEK
COD 4504807