Chemical Components in the PDB

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8WO : Summary

Code

8WO

One-letter code

X

Molecule name

6-methoxy-1-methyl-2H-pyridine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-methoxy-1-methyl-2~{H}-pyridine-3-carboxamide

Formula

C8 H12 N2 O2

Formal charge

0

Molecular weight

168.193 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COC1=CC=C(CN1C)C(N)=O
SMILES OpenEye OEToolkits 2.0.6 CN1CC(=CC=C1OC)C(=O)N
Canonical SMILES CACTVS 3.385 COC1=CC=C(CN1C)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1CC(=CC=C1OC)C(=O)N

IUPAC InChI

InChI=1S/C8H12N2O2/c1-10-5-6(8(9)11)3-4-7(10)12-2/h3-4H,5H2,1-2H3,(H2,9,11)

IUPAC InChI key

XDTUJYQFSMEIJT-UHFFFAOYSA-N
8WO

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-17

Last modified at

2018-03-16

Status

Released

Obsoleted

Not Assigned