RQT

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

Created:	2020-10-20
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where RQT is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of RQT

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
Formula	C₁₆ H₁₅ N₃ O
Molecular Weight	265.31
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	CXHYISUBNJBKTE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804528

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.