WNS

N-(2-chloropyridin-3-yl)butanamide

Created:	2020-10-30
Last modified:	2020-11-11

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1 entries where WNS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of WNS

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Chemical Component Summary
Name	N-(2-chloropyridin-3-yl)butanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-chloranylpyridin-3-yl)butanamide
Formula	C₉ H₁₁ Cl N₂ O
Molecular Weight	198.649
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(NC(CCC)=O)c(n1)Cl
SMILES	CACTVS	3.385	CCCC(=O)Nc1cccnc1Cl
SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)Nc1cccnc1Cl
Canonical SMILES	CACTVS	3.385	CCCC(=O)Nc1cccnc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)Nc1cccnc1Cl
InChI	InChI	1.03	InChI=1S/C9H11ClN2O/c1-2-4-8(13)12-7-5-3-6-11-9(7)10/h3,5-6H,2,4H2,1H3,(H,12,13)
InChIKey	InChI	1.03	UYVCKWSCSBBXER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	836741

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.