KMR

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

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

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2 entries where KMR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	6

2D diagram of KMR

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Chemical Component Summary
Name	4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
Formula	C₁₄ H₂₄ N₄
Molecular Weight	248.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(CCCN2CCN(C)CC2)nc(N)c1
SMILES	CACTVS	3.385	CN1CCN(CCCc2cc(C)cc(N)n2)CC1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCCN2CCN(CC2)C
Canonical SMILES	CACTVS	3.385	CN1CCN(CCCc2cc(C)cc(N)n2)CC1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCCN2CCN(CC2)C
InChI	InChI	1.03	InChI=1S/C14H24N4/c1-12-10-13(16-14(15)11-12)4-3-5-18-8-6-17(2)7-9-18/h10-11H,3-9H2,1-2H3,(H2,15,16)
InChIKey	InChI	1.03	SJKIQNSRANOUEL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	158447566

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.