KMD

6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine

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

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2 entries where KMD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	12

2D diagram of KMD

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Chemical Component Summary
Name	6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2-[3-fluoranyl-5-[2-[(2~{R})-1-methylpyrrolidin-2-yl]ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₂₁ H₂₈ F N₃
Molecular Weight	341.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(cc(C)cc(CCc1cc(F)cc(c1)CCC2CCCN2C)n3)N
SMILES	CACTVS	3.385	CN1CCC[CH]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CCCN3C
Canonical SMILES	CACTVS	3.385	CN1CCC[C@H]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C
InChI	InChI	1.03	InChI=1S/C21H28FN3/c1-15-10-19(24-21(23)11-15)7-5-16-12-17(14-18(22)13-16)6-8-20-4-3-9-25(20)2/h10-14,20H,3-9H2,1-2H3,(H2,23,24)/t20-/m0/s1
InChIKey	InChI	1.03	LLEZATCTDGWSJC-FQEVSTJZSA-N

Related Resource References

Resource Name	Reference
PubChem	137530111

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