Chemical Components in the PDB

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JGD : Summary

Code

JGD

One-letter code

X

Molecule name

N,N-dimethylpyridin-4-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N-dimethylpyridin-4-amine
OpenEye OEToolkits 2.0.6 ~{N},~{N}-dimethylpyridin-4-amine

Formula

C7 H10 N2

Formal charge

0

Molecular weight

122.168 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(c1ccncc1)C
SMILES CACTVS 3.385 CN(C)c1ccncc1
SMILES OpenEye OEToolkits 2.0.6 CN(C)c1ccncc1
Canonical SMILES CACTVS 3.385 CN(C)c1ccncc1
Canonical SMILES OpenEye OEToolkits 2.0.6 CN(C)c1ccncc1

IUPAC InChI

InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3

IUPAC InChI key

VHYFNPMBLIVWCW-UHFFFAOYSA-N
JGD

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-10

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned