Chemical Components in the PDB

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9W2 : Summary

Code

9W2

One-letter code

X

Molecule name

~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide

Formula

C11 H16 N4 O

Formal charge

0

Molecular weight

220.271 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)NC1CCN(CC1)c2ncccn2
SMILES OpenEye OEToolkits 2.0.6 CC(=O)NC1CCN(CC1)c2ncccn2
Canonical SMILES CACTVS 3.385 CC(=O)NC1CCN(CC1)c2ncccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)NC1CCN(CC1)c2ncccn2

IUPAC InChI

InChI=1S/C11H16N4O/c1-9(16)14-10-3-7-15(8-4-10)11-12-5-2-6-13-11/h2,5-6,10H,3-4,7-8H2,1H3,(H,14,16)

IUPAC InChI key

ZVXAROMXPLDLIO-UHFFFAOYSA-N
9W2

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-19

Last modified at

2018-02-09

Status

Released

Obsoleted

Not Assigned