L5I

(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide

Created:	2023-08-15
Last modified:	2023-11-08

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1 entries where L5I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	6

2D diagram of L5I

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Chemical Component Summary
Name	(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-3-cyclopropyl-2-methyl-~{N}-(4-methylpyridin-3-yl)propanamide
Formula	C₁₃ H₁₈ N₂ O
Molecular Weight	218.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C(C)CC1CC1
SMILES	CACTVS	3.385	C[CH](CC1CC1)C(=O)Nc2cnccc2C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C(C)CC2CC2
Canonical SMILES	CACTVS	3.385	C[C@H](CC1CC1)C(=O)Nc2cnccc2C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@H](C)CC2CC2
InChI	InChI	1.06	InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKey	InChI	1.06	SRXLGHBNKKQZHE-SNVBAGLBSA-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.