KYC

(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide

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

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1 entries where KYC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

2D diagram of KYC

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Chemical Component Summary
Name	(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(3-chlorophenyl)-2-(dimethylamino)-~{N}-(4-methylpyridin-3-yl)ethanamide
Formula	C₁₆ H₁₈ Cl N₃ O
Molecular Weight	303.787
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)N(C)C
SMILES	CACTVS	3.385	CN(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)N(C)C
Canonical SMILES	CACTVS	3.385	CN(C)[C@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@H](c2cccc(c2)Cl)N(C)C
InChI	InChI	1.06	InChI=1S/C16H18ClN3O/c1-11-7-8-18-10-14(11)19-16(21)15(20(2)3)12-5-4-6-13(17)9-12/h4-10,15H,1-3H3,(H,19,21)/t15-/m0/s1
InChIKey	InChI	1.06	XRWOUNDNLXZKFZ-HNNXBMFYSA-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.