Chemical Components in the PDB

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APY : Summary

Code

APY

One-letter code

X

Molecule name

2-AMINOMETHYL-PYRIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-pyridin-2-ylmethanamine
OpenEye OEToolkits 1.5.0 pyridin-2-ylmethanamine

Formula

C6 H8 N2

Formal charge

0

Molecular weight

108.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccccc1CN
SMILES CACTVS 3.341 NCc1ccccn1
SMILES OpenEye OEToolkits 1.5.0 c1ccnc(c1)CN
Canonical SMILES CACTVS 3.341 NCc1ccccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccnc(c1)CN

IUPAC InChI

InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2

IUPAC InChI key

WOXFMYVTSLAQMO-UHFFFAOYSA-N

Is part of

B03
APY

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned