L4N

(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide

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

Find Related PDB Entry
1 entries where L4N 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	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of L4N

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
Systematic Name (OpenEye OEToolkits)	(6~{R})-~{N}-(4-methylpyridin-3-yl)spiro[2.4]heptane-6-carboxamide
Formula	C₁₄ H₁₈ N₂ O
Molecular Weight	230.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)C1CCC2(CC2)C1
SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)C2CCC3(C2)CC3
Canonical SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)[C@@H]2CCC3(CC3)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)[C@@H]2CCC3(C2)CC3
InChI	InChI	1.06	InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKey	InChI	1.06	FNCISWRYQRGLKF-LLVKDONJSA-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.