magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide

C81H65BrClF10MgN13O12S — CID 159457142

IUPACmagnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide
SMILESCCC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.CON(C)C(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1sc(-c2cccnc2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.O=C(Cl)c1c(F)cccc1F.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C21H14F2N4OS.C15H13F2N3O3.C15H12F2N2O2.C14H10F2N2O3.C7H3ClF2O.C7H8N2O2.C2H5.BrH.Mg/c1-12-19(27-21(29-12)14-4-3-9-24-10-14)13-7-8-17(25-11-13)26-20(28)18-15(22)5-2-6-16(18)23;1-20(23-2)15(22)9-6-7-12(18-8-9)19-14(21)13-10(16)4-3-5-11(13)17;1-2-12(20)9-6-7-13(18-8-9)19-15(21)14-10(16)4-3-5-11(14)17;1-21-14(20)8-5-6-11(17-7-8)18-13(19)12-9(15)3-2-4-10(12)16;8-7(11)6-4(9)2-1-3-5(6)10;1-11-7(10)5-2-3-6(8)9-4-5;1-2;;/h2-11H,1H3,(H,25,26,28);3-8H,1-2H3,(H,18,19,21);3-8H,2H2,1H3,(H,18,19,21);2-7H,1H3,(H,17,18,19);1-3H;2-4H,1H3,(H2,8,9);1H2,2H3;1H;/q;;;;;;-1;;+2/p-1
InChIKeyYLXHBKBOQQSXOQ-UHFFFAOYSA-M
MW1774.20 g/mol
LogP13.21
Rot. Bonds17

About magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide

magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide (PubChem CID 159457142) has the molecular formula C81H65BrClF10MgN13O12S and a molecular weight of 1774.20 g/mol. Its IUPAC name is magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide.

Molecular Properties

Compound Namemagnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide
PubChem CID159457142
Molecular FormulaC81H65BrClF10MgN13O12S
Molecular Weight1774.20 g/mol
Exact Mass1771.32
IUPAC Namemagnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide
SMILESCCC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.CON(C)C(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1sc(-c2cccnc2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.O=C(Cl)c1c(F)cccc1F.[Br-].[CH2-]C.[Mg+2]
InChIInChI=1S/C21H14F2N4OS.C15H13F2N3O3.C15H12F2N2O2.C14H10F2N2O3.C7H3ClF2O.C7H8N2O2.C2H5.BrH.Mg/c1-12-19(27-21(29-12)14-4-3-9-24-10-14)13-7-8-17(25-11-13)26-20(28)18-15(22)5-2-6-16(18)23;1-20(23-2)15(22)9-6-7-12(18-8-9)19-14(21)13-10(16)4-3-5-11(13)17;1-2-12(20)9-6-7-13(18-8-9)19-15(21)14-10(16)4-3-5-11(14)17;1-21-14(20)8-5-6-11(17-7-8)18-13(19)12-9(15)3-2-4-10(12)16;8-7(11)6-4(9)2-1-3-5(6)10;1-11-7(10)5-2-3-6(8)9-4-5;1-2;;/h2-11H,1H3,(H,25,26,28);3-8H,1-2H3,(H,18,19,21);3-8H,2H2,1H3,(H,18,19,21);2-7H,1H3,(H,17,18,19);1-3H;2-4H,1H3,(H2,8,9);1H2,2H3;1H;/q;;;;;;-1;;+2/p-1
InChIKeyYLXHBKBOQQSXOQ-UHFFFAOYSA-M
XLogP13.21
TPSA348.93 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001774.20
LogP ≤ 513.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide with MolForge

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Related Compounds

magnesium;N-(5-acetyl-2-pyridinyl)-2,6-difluorobenzamide;1-(6-amino-3-pyridinyl)ethanone;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;bromide
CID 158035681
magnesium;N-(5-acetyl-2-pyridinyl)-2,6-difluorobenzamide;1-(6-amino-3-pyridinyl)ethanone;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methane;bromide
CID 159225205
magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide
CID 161641519
magnesium;N-(5-acetyl-2-pyridinyl)-2,6-difluorobenzamide;1-(6-amino-3-pyridinyl)ethanone;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methane;bromide
CID 161844461

Frequently Asked Questions

What is the IUPAC name of magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide?
The IUPAC name of magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide (CID 159457142) is magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide.
What is the SMILES notation for magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide?
The canonical SMILES for magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide is CCC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.CON(C)C(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1sc(-c2cccnc2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.O=C(Cl)c1c(F)cccc1F.[Br-].[CH2-]C.[Mg+2].
What is the InChIKey of magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide?
The InChIKey is YLXHBKBOQQSXOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14F2N4OS.C15H13F2N3O3.C15H12F2N2O2.C14H10F2N2O3.C7H3ClF2O.C7H8N2O2.C2H5.BrH.Mg/c1-12-19(27-21(29-12)14-4-3-9-24-10-14)13-7-8-17(25-11-13)26-20(28)18-15(22)5-2-6-16(18)23;1-20(23-2)15(22)9-6-7-12(18-8-9)19-14(21)13-10(16)4-3-5-11(13)17;1-2-12(20)9-6-7-13(18-8-9)19-15(21)14-10(16)4-3-5-11(14)17;1-21-14(20)8-5-6-11(17-7-8)18-13(19)12-9(15)3-2-4-10(12)16;8-7(11)6-4(9)2-1-3-5(6)10;1-11-7(10)5-2-3-6(8)9-4-5;1-2;;/h2-11H,1H3,(H,25,26,28);3-8H,1-2H3,(H,18,19,21);3-8H,2H2,1H3,(H,18,19,21);2-7H,1H3,(H,17,18,19);1-3H;2-4H,1H3,(H2,8,9);1H2,2H3;1H;/q;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide?
magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide has a molecular weight of 1774.20 g/mol, XLogP of 13.21, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-(5-propanoyl-2-pyridinyl)benzamide;ethane;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(2,6-difluorobenzoyl)amino]pyridine-3-carboxylate;bromide is sourced from PubChem (CID 159457142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).