Chemical Components in the PDB

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D3G : Summary

Code

D3G

One-letter code

X

Molecule name

(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(5-pyridin-3-ylfuran-2-yl)methanamine
OpenEye OEToolkits 1.5.0 (5-pyridin-3-ylfuran-2-yl)methanamine

Formula

C10 H10 N2 O

Formal charge

0

Molecular weight

174.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2cc(c1oc(cc1)CN)ccc2
SMILES CACTVS 3.341 NCc1oc(cc1)c2cccnc2
SMILES OpenEye OEToolkits 1.5.0 c1cc(cnc1)c2ccc(o2)CN
Canonical SMILES CACTVS 3.341 NCc1oc(cc1)c2cccnc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cnc1)c2ccc(o2)CN

IUPAC InChI

InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2

IUPAC InChI key

LENAVORGWBTPJR-UHFFFAOYSA-N
D3G

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-12-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned