Chemical Components in the PDB

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L30 : Summary

Code

L30

One-letter code

X

Molecule name

N-(naphthalen-1-yl)pyridine-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(naphthalen-1-yl)pyridine-3-carboxamide
OpenEye OEToolkits 2.0.7 ~{N}-naphthalen-1-ylpyridine-3-carboxamide

Formula

C16 H12 N2 O

Formal charge

0

Molecular weight

248.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1cccc2ccccc21)c1cccnc1
SMILES CACTVS 3.385 O=C(Nc1cccc2ccccc12)c3cccnc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cccc2NC(=O)c3cccnc3
Canonical SMILES CACTVS 3.385 O=C(Nc1cccc2ccccc12)c3cccnc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)cccc2NC(=O)c3cccnc3

IUPAC InChI

InChI=1S/C16H12N2O/c19-16(13-7-4-10-17-11-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,18,19)

IUPAC InChI key

OZOFJVFWGZHBHV-UHFFFAOYSA-N
L30

wwPDB Information

Atom count

31 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-10-08

Last modified at

2021-10-15

Status

Released

Obsoleted

Not Assigned