KMA

6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine

Created:	2019-01-03
Last modified:	2019-03-13

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3 entries where KMA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	12

2D diagram of KMA

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Chemical Component Summary
Name	6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2-[3-fluoranyl-5-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₂₀ H₂₆ F N₃
Molecular Weight	327.439
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(cc(c1)CCC2CCCN2)CCc3cc(cc(n3)N)C
SMILES	CACTVS	3.385	Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3CCCN3)c2)c1
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3
Canonical SMILES	CACTVS	3.385	Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3CCCN3)c2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3
InChI	InChI	1.03	InChI=1S/C20H26FN3/c1-14-9-19(24-20(22)10-14)7-5-16-11-15(12-17(21)13-16)4-6-18-3-2-8-23-18/h9-13,18,23H,2-8H2,1H3,(H2,22,24)/t18-/m0/s1
InChIKey	InChI	1.03	PTOVOAJZRWYLQM-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
PubChem	137530110

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.