KXF

2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

Created:	2023-08-14
Last modified:	2023-11-08

Find Related PDB Entry
1 entries where KXF is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of KXF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
Systematic Name (OpenEye OEToolkits)	2-(3-hydroxyphenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide
Formula	C₁₄ H₁₄ N₂ O₂
Molecular Weight	242.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)Cc1cccc(O)c1
SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)Cc2cccc(O)c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)O
Canonical SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)Cc2cccc(O)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)O
InChI	InChI	1.06	InChI=1S/C14H14N2O2/c1-10-5-6-15-9-13(10)16-14(18)8-11-3-2-4-12(17)7-11/h2-7,9,17H,8H2,1H3,(H,16,18)
InChIKey	InChI	1.06	JOMCPDPKDFHNEK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	63327372

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.