Chemical Components in the PDB

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JVB : Summary

Code

JVB

One-letter code

X

Molecule name

2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide

Formula

C14 H14 N2 O2

Formal charge

0

Molecular weight

242.273 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccccc1OCC(=O)Nc2cccnc2
SMILES OpenEye OEToolkits 2.0.7 Cc1ccccc1OCC(=O)Nc2cccnc2
Canonical SMILES CACTVS 3.385 Cc1ccccc1OCC(=O)Nc2cccnc2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccccc1OCC(=O)Nc2cccnc2

IUPAC InChI

InChI=1S/C14H14N2O2/c1-11-5-2-3-7-13(11)18-10-14(17)16-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)

IUPAC InChI key

MUOTYWWZYLNCGX-UHFFFAOYSA-N
JVB

wwPDB Information

Atom count

32 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-04-02

Last modified at

2019-05-03

Status

Released

Obsoleted

Not Assigned