Chemical Components in the PDB

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QCZ : Summary

Code

QCZ

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide

Formula

C18 H19 N3 O3

Formal charge

0

Molecular weight

325.362 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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)

IUPAC InChI key

QZZCUOVXHPAQRQ-UHFFFAOYSA-N
QCZ

wwPDB Information

Atom count

43 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-08

Last modified at

2020-07-31

Status

Released

Obsoleted

Not Assigned