XFJ

6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)

Created:	2010-05-27
Last modified:	2011-06-04

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9 entries where XFJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	18

2D diagram of XFJ

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Chemical Component Summary
Name	6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)
Systematic Name (OpenEye OEToolkits)	6-[2-[5-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₂₁ H₂₅ N₅
Molecular Weight	347.457
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(N)cc(cc1CCc2cc(cnc2)CCc3nc(N)cc(c3)C)C
SMILES	CACTVS	3.370	Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C
Canonical SMILES	CACTVS	3.370	Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C
InChI	InChI	1.03	InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26)
InChIKey	InChI	1.03	KZHFSPGMRFCRCE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46847260
ChEMBL	CHEMBL1615288

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