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Summary Geometry Related PDB entries

A1A0A

Summary

Name:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Formula:	C18 H19 F4 N3
Formal charge:	0
Formula weight:	353.357 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
OpenEye OEToolkits	2.0.7	6-[5-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-2,3-bis(fluoranyl)phenyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1
InChI	InChI	1.06	InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
InChIKey	InChI	1.06	UDTZICNKNULRRC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CCC(F)(F)CC3)cc(F)c2F
SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CCC(F)(F)CC3)cc(F)c2F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CCC(CC3)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CCC(CC3)(F)F

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