Chemical Components in the PDB

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6NZ : Summary

Code

6NZ

One-letter code

X

Molecule name

5-cyclohexyl-3-propyl-1H-pyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 5-cyclohexyl-3-propyl-1H-pyridin-2-one

Formula

C14 H21 N O

Formal charge

0

Molecular weight

219.323 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCC1=CC(=CNC1=O)C2CCCCC2
SMILES OpenEye OEToolkits 1.7.6 CCCC1=CC(=CNC1=O)C2CCCCC2
Canonical SMILES CACTVS 3.385 CCCC1=CC(=CNC1=O)C2CCCCC2
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCC1=CC(=CNC1=O)C2CCCCC2

IUPAC InChI

InChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16)

IUPAC InChI key

VGWMLHHFTHSIBB-UHFFFAOYSA-N
6NZ

wwPDB Information

Atom count

37 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-03-09

Last modified at

2015-05-08

Status

Released

Obsoleted

Not Assigned