A1A0D

(6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine

Created:	2024-07-30
Last modified:	2025-04-30

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3 entries where A1A0D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of A1A0D

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Chemical Component Summary
Name	(6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[5-[[3,3-bis(fluoranyl)azetidin-1-yl]methyl]-2,3-bis(fluoranyl)phenyl]-4-methyl-pyridin-2-amine
Formula	C₁₆ H₁₅ F₄ N₃
Molecular Weight	325.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CC(F)(F)C1
SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CC(F)(F)C3)cc(F)c2F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CC(C3)(F)F
Canonical SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)c2cc(CN3CC(F)(F)C3)cc(F)c2F
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CC(C3)(F)F
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

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.