RKW

~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide

Created:	2020-10-01
Last modified:	2021-05-26

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1 entries where RKW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	16

2D diagram of RKW

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Chemical Component Summary
Name	~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
Formula	C₁₆ H₁₆ N₄ O₂
Molecular Weight	296.324
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2
SMILES	OpenEye OEToolkits	2.0.7	CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3
Canonical SMILES	CACTVS	3.385	CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNCC(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3
InChI	InChI	1.03	InChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21)
InChIKey	InChI	1.03	QTOHGLNFWYFLSB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155920138

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