Chemical Components in the PDB

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LR8 : Summary

Code

LR8

One-letter code

X

Molecule name

6-morpholin-4-ylpyridine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-morpholin-4-ylpyridine-3-carboxamide

Formula

C10 H13 N3 O2

Formal charge

0

Molecular weight

207.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1ccc(nc1)N2CCOCC2
SMILES OpenEye OEToolkits 2.0.7 c1cc(ncc1C(=O)N)N2CCOCC2
Canonical SMILES CACTVS 3.385 NC(=O)c1ccc(nc1)N2CCOCC2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ncc1C(=O)N)N2CCOCC2

IUPAC InChI

InChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)

IUPAC InChI key

WGUWZMKBMLBNEE-UHFFFAOYSA-N
LR8

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-03

Last modified at

2020-09-25

Status

Released

Obsoleted

Not Assigned