Chemical Components in the PDB

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5HO : Summary

Code

5HO

One-letter code

X

Molecule name

N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
OpenEye OEToolkits 1.9.2 N-(5-chloranylpyridin-2-yl)-2-oxidanylidene-2-pyrrolidin-1-yl-ethanamide

Formula

C11 H12 Cl N3 O2

Formal charge

0

Molecular weight

253.685 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(ccc(nc1)NC(C(N2CCCC2)=O)=O)Cl
SMILES CACTVS 3.385 Clc1ccc(NC(=O)C(=O)N2CCCC2)nc1
SMILES OpenEye OEToolkits 1.9.2 c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2
Canonical SMILES CACTVS 3.385 Clc1ccc(NC(=O)C(=O)N2CCCC2)nc1
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc(ncc1Cl)NC(=O)C(=O)N2CCCC2

IUPAC InChI

InChI=1S/C11H12ClN3O2/c12-8-3-4-9(13-7-8)14-10(16)11(17)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,13,14,16)

IUPAC InChI key

LBTQVDWFWLGFOP-UHFFFAOYSA-N
5HO

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

2015-09-25

Last modified at

2016-09-23

Status

Released

Obsoleted

Not Assigned