Chemical Components in the PDB

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8NP : Summary

Code

8NP

One-letter code

X

Molecule name

3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one
OpenEye OEToolkits 2.0.6 3-methyl-5-(2-phenoxyphenyl)-1~{H}-pyridin-2-one

Formula

C18 H15 N O2

Formal charge

0

Molecular weight

277.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc(c1)Oc2c(cccc2)C=3C=C(C(NC=3)=O)C
SMILES CACTVS 3.385 CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3
SMILES OpenEye OEToolkits 2.0.6 CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3
Canonical SMILES CACTVS 3.385 CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3

IUPAC InChI

InChI=1S/C18H15NO2/c1-13-11-14(12-19-18(13)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20)

IUPAC InChI key

ZQYOXBNCDYICCV-UHFFFAOYSA-N
8NP

wwPDB Information

Atom count

36 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-22

Last modified at

2017-06-09

Status

Released

Obsoleted

Not Assigned