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Summary Geometry Related PDB entries

A1A0D

Summary

Name:	(6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Formula:	C16 H15 F4 N3
Formal charge:	0
Formula weight:	325.304 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
OpenEye OEToolkits	2.0.7	6-[5-[[3,3-bis(fluoranyl)azetidin-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)CN1CC(F)(F)C1
InChI	InChI	1.06	InChI=1S/C16H15F4N3/c1-9-2-13(22-14(21)3-9)11-4-10(5-12(17)15(11)18)6-23-7-16(19,20)8-23/h2-5H,6-8H2,1H3,(H2,21,22)
InChIKey	InChI	1.06	ZBCONLWMLUYADU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CC(F)(F)C3)cc(F)c2F
SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CC(F)(F)C3)cc(F)c2F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CC(C3)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CC(C3)(F)F

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