K90

4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine

Created:	2022-02-03
Last modified:	2022-07-13

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2 entries where K90 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of K90

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Chemical Component Summary
Name	4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyridin-2-amine
Formula	C₁₄ H₂₀ N₄
Molecular Weight	244.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(C#CCN2CCN(C)CC2)nc(N)c1
SMILES	CACTVS	3.385	CN1CCN(CC1)CC#Cc2cc(C)cc(N)n2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)C#CCN2CCN(CC2)C
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)CC#Cc2cc(C)cc(N)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)C#CCN2CCN(CC2)C
InChI	InChI	1.03	InChI=1S/C14H20N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,5-9H2,1-2H3,(H2,15,16)
InChIKey	InChI	1.03	VWGJRTCMKOXFHS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	158447564

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