EXI

N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine

Created:	2015-03-23
Last modified:	2015-06-24

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5 entries where EXI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	12

2D diagram of EXI

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Chemical Component Summary
Name	N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine
Systematic Name (OpenEye OEToolkits)	N'-[5-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]pyridin-3-yl]-N,N'-dimethyl-ethane-1,2-diamine
Formula	C₁₇ H₂₅ N₅
Molecular Weight	299.414
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC
Canonical SMILES	CACTVS	3.385	CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC
InChI	InChI	1.03	InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
InChIKey	InChI	1.03	BAILAIZRWKFZJT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3586661
PubChem	91808031
ChEMBL	CHEMBL3586661

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