AG002QCB

25063-69-8 | 5-(((6-Methoxypyridin-3-Yl)Amino)Methylene)-2,2-Dimethyl-1,3-Dioxane-4,6-Dione

AG002QCB

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CAS Number	25063-69-8
Catalog Number	AG002QCB(AGN-PC-0R0SLJ)
Chemical Name	5-(((6-Methoxypyridin-3-Yl)Amino)Methylene)-2,2-Dimethyl-1,3-Dioxane-4,6-Dione
IUPAC Name	5-[[(6-methoxypyridin-3-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI	InChI=1S/C13H14N2O5/c1-13(2)19-11(16)9(12(17)20-13)7-14-8-4-5-10(18-3)15-6-8/h4-7,14H,1-3H3
InChI Key	RRLXNXFZXSSOGO-UHFFFAOYSA-N
MDL Number	MFCD00170987
Molecular Formula	C13H14N2O5
Molecular Weight	278.2607
SMILES	O=C(/C1=C/NC2=CC=C(OC)N=C2)OC(C)(C)OC1=O
Synonyms	25063-69-8, 5-(((6-Methoxypyridin-3-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-((6-methoxypyridin-3-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[[(6-methoxypyridin-3-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-{[(6-methoxypyridin-3-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-(((6-METHOXY(3-PYRIDYL))AMINO)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE, 5-{[(6-methoxypyridin-3-yl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione, AC1N67YW, SCHEMBL2206344, CTK7A7619, RRLXNXFZXSSOGO-UHFFFAOYSA-N, KS-000028RQ, ZINC2549984, MFCD00170987, AKOS005110525, MCULE-8490060682, MS-6716, AJ-39598, DA-07705, FT-0717472, EN300-248781, 2,2-Dimethyl-5-({[6-(methoxy)-3-pyridinyl]amino}methylidene)-1,3-dioxane-4,6-dione, 5((6-methoxypyridin-3-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(6-methoxy-pyridin-3-ylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione, 5-{[(6-methoxy-3-pyridinyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dione, CID4255799,

Complexity	411
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.09g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.264g/mol
Monoisotopic Mass	278.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

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