Chemical Components in the PDB

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V7L : Summary

Code

V7L

One-letter code

X

Molecule name

N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide
OpenEye OEToolkits 2.0.7 ~{N}-methyl-2-(methylamino)-~{N}-pyridin-2-yl-ethanamide

Formula

C9 H13 N3 O

Formal charge

0

Molecular weight

179.219 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C(=O)CNC)c1ccccn1
SMILES CACTVS 3.385 CNCC(=O)N(C)c1ccccn1
SMILES OpenEye OEToolkits 2.0.7 CNCC(=O)N(C)c1ccccn1
Canonical SMILES CACTVS 3.385 CNCC(=O)N(C)c1ccccn1
Canonical SMILES OpenEye OEToolkits 2.0.7 CNCC(=O)N(C)c1ccccn1

IUPAC InChI

InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3

IUPAC InChI key

NMGYUUWTXRESMX-UHFFFAOYSA-N
V7L

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned