RK5

4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine

Created:	2020-09-30
Last modified:	2021-05-26

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2 entries where RK5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	16

2D diagram of RK5

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Chemical Component Summary
Name	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Systematic Name (OpenEye OEToolkits)	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Formula	C₁₅ H₁₅ N₃ O
Molecular Weight	253.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C
Canonical SMILES	CACTVS	3.385	Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C
InChI	InChI	1.03	InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
InChIKey	InChI	1.03	PZRAWCBVDRNTDQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155920140

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.