QCZ

~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide

Created:	2020-06-08
Last modified:	2020-08-05

Find Related PDB Entry
2 entries where QCZ 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	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	6

2D diagram of QCZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
Formula	C₁₈ H₁₉ N₃ O₃
Molecular Weight	325.362
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3CC3
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3
Canonical SMILES	CACTVS	3.385	CNC(=O)C1=CC(=CN(Cc2ccccc2)C1=O)C(=O)NC3CC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3
InChI	InChI	1.03	InChI=1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22)
InChIKey	InChI	1.03	QZZCUOVXHPAQRQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126648559
CCDC/CSD	HUZDAK
COD	1558935

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.