KX9

(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide

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

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1 entries where KX9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	17

2D diagram of KX9

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Chemical Component Summary
Name	(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-(3-chlorophenyl)-~{N}-(4-pyrazol-1-ylpyridin-3-yl)propanamide
Formula	C₁₇ H₁₅ Cl N₄ O
Molecular Weight	326.78
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1
SMILES	CACTVS	3.385	C[CH](C(=O)Nc1cnccc1n2cccn2)c3cccc(Cl)c3
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2n3cccn3
Canonical SMILES	CACTVS	3.385	C[C@@H](C(=O)Nc1cnccc1n2cccn2)c3cccc(Cl)c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc(c1)Cl)C(=O)Nc2cnccc2n3cccn3
InChI	InChI	1.06	InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/t12-/m1/s1
InChIKey	InChI	1.06	LMUJWKIRCRWFKF-GFCCVEGCSA-N

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.