Chemical Components in the PDB

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NWI : Summary

Code

NWI

One-letter code

X

Molecule name

2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide
OpenEye OEToolkits 2.0.7 2-(3-chlorophenyl)-~{N}-(1,6-naphthyridin-8-yl)ethanamide

Formula

C16 H12 Cl N3 O

Formal charge

0

Molecular weight

297.739 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Clc1cccc(c1)CC(=O)Nc1cncc2cccnc21
SMILES CACTVS 3.385 Clc1cccc(CC(=O)Nc2cncc3cccnc23)c1
SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3
Canonical SMILES CACTVS 3.385 Clc1cccc(CC(=O)Nc2cncc3cccnc23)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3

IUPAC InChI

InChI=1S/C16H12ClN3O/c17-13-5-1-3-11(7-13)8-15(21)20-14-10-18-9-12-4-2-6-19-16(12)14/h1-7,9-10H,8H2,(H,20,21)

IUPAC InChI key

AFQAFSYTYCJOEN-UHFFFAOYSA-N
NWI

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-16

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned