Chemical Components in the PDB

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MWU : Summary

Code

MWU

One-letter code

X

Molecule name

~{N}-pyridin-2-ylprop-2-enamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-pyridin-2-ylprop-2-enamide

Formula

C8 H8 N2 O

Formal charge

0

Molecular weight

148.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C=CC(=O)Nc1ccccn1
SMILES OpenEye OEToolkits 2.0.7 C=CC(=O)Nc1ccccn1
Canonical SMILES CACTVS 3.385 C=CC(=O)Nc1ccccn1
Canonical SMILES OpenEye OEToolkits 2.0.7 C=CC(=O)Nc1ccccn1

IUPAC InChI

InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11)

IUPAC InChI key

ZUKUBTGXSHTDHA-UHFFFAOYSA-N
MWU

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-01-05

Last modified at

2023-12-08

Status

Released

Obsoleted

Not Assigned