Chemical Components in the PDB

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RJ5 : Summary

Code

RJ5

One-letter code

X

Molecule name

4-(4-methoxyphenyl)pyridin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(4-methoxyphenyl)pyridin-2-amine

Formula

C12 H12 N2 O

Formal charge

0

Molecular weight

200.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cc1)c2ccnc(N)c2
SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2ccnc(c2)N
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)c2ccnc(N)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1)c2ccnc(c2)N

IUPAC InChI

InChI=1S/C12H12N2O/c1-15-11-4-2-9(3-5-11)10-6-7-14-12(13)8-10/h2-8H,1H3,(H2,13,14)

IUPAC InChI key

PGBMTNNEAWCSJZ-UHFFFAOYSA-N
RJ5

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-09-30

Last modified at

2021-05-21

Status

Released

Obsoleted

Not Assigned