Chemical Components in the PDB

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Q10 : Summary

Code

Q10

One-letter code

X

Molecule name

6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine
OpenEye OEToolkits 1.7.6 6-[[3-(3-azanylpropoxy)phenoxy]methyl]-4-methyl-pyridin-2-amine

Formula

C16 H21 N3 O2

Formal charge

0

Molecular weight

287.357 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O(c2cccc(OCc1nc(N)cc(c1)C)c2)CCCN
SMILES CACTVS 3.370 Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1
SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN
Canonical SMILES CACTVS 3.370 Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN

IUPAC InChI

InChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)

IUPAC InChI key

USONDHXIUNXLQT-UHFFFAOYSA-N
Q10

wwPDB Information

Atom count

42 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-28

Last modified at

2013-08-02

Status

Released

Obsoleted

Not Assigned