Chemical Components in the PDB

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L83 : Summary

Code

L83

One-letter code

X

Molecule name

N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-(2-azanyl-4-methyl-pyridin-3-yl)-2-(3-chlorophenyl)ethanamide

Formula

C14 H14 Cl N3 O

Formal charge

0

Molecular weight

275.733 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Nc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
SMILES CACTVS 3.385 Cc1ccnc(N)c1NC(=O)Cc2cccc(Cl)c2
SMILES OpenEye OEToolkits 2.0.7 Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)N
Canonical SMILES CACTVS 3.385 Cc1ccnc(N)c1NC(=O)Cc2cccc(Cl)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccnc(c1NC(=O)Cc2cccc(c2)Cl)N

IUPAC InChI

InChI=1S/C14H14ClN3O/c1-9-5-6-17-14(16)13(9)18-12(19)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)

IUPAC InChI key

HMBNRINOSXPSCN-UHFFFAOYSA-N
L83

wwPDB Information

Atom count

33 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-15

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned