Chemical Components in the PDB

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H0P : Summary

Code

H0P

One-letter code

X

Molecule name

2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(3-hydroxyphenyl)-N-(pyridin-3-yl)acetamide
OpenEye OEToolkits 2.0.6 2-(3-hydroxyphenyl)-~{N}-pyridin-3-yl-ethanamide

Formula

C13 H12 N2 O2

Formal charge

0

Molecular weight

228.247 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C(Cc1cc(ccc1)O)=O)c2cccnc2
SMILES CACTVS 3.385 Oc1cccc(CC(=O)Nc2cccnc2)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)O)CC(=O)Nc2cccnc2
Canonical SMILES CACTVS 3.385 Oc1cccc(CC(=O)Nc2cccnc2)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)O)CC(=O)Nc2cccnc2

IUPAC InChI

InChI=1S/C13H12N2O2/c16-12-5-1-3-10(7-12)8-13(17)15-11-4-2-6-14-9-11/h1-7,9,16H,8H2,(H,15,17)

IUPAC InChI key

SVYJPXVRJILISE-UHFFFAOYSA-N
H0P

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-08

Last modified at

2019-03-22

Status

Released

Obsoleted

Not Assigned