Chemical Components in the PDB

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RQT : Summary

Code

RQT

One-letter code

X

Molecule name

~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide

Formula

C16 H15 N3 O

Formal charge

0

Molecular weight

265.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23
SMILES OpenEye OEToolkits 2.0.7 CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3
Canonical SMILES CACTVS 3.385 CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC(=O)Nc1cccc(c1)c2c[nH]c3c2cccn3

IUPAC InChI

InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20)

IUPAC InChI key

CXHYISUBNJBKTE-UHFFFAOYSA-N
RQT

wwPDB Information

Atom count

35 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-10-20

Last modified at

2020-11-27

Status

Released

Obsoleted

Not Assigned