magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene

C114H119BBr4ClMgN15O14RuS — CID 159979604

About magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene

magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene (PubChem CID 159979604) has the molecular formula C114H119BBr4ClMgN15O14RuS and a molecular weight of 2446.62 g/mol. Its IUPAC name is magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene.

Molecular Properties

• Compound Name: magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene
• PubChem CID: 159979604
• Molecular Formula: C114H119BBr4ClMgN15O14RuS
• Molecular Weight: 2446.62 g/mol
• Exact Mass: 2441.42
• IUPAC Name: magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene
• SMILES: Brc1c[c-]cnc1.Brc1cncc(Br)c1.CN(C)C(=O)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1.CN(C)C(=O)C(=O)c1cncc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1c[nH]c2ncc(-c3cncc([C@H](O)C(=O)N(C)C)c3)cc12.Cc1ccc(C(C)C)cc1.Cl[Ru+3].[CH2-][C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1.[CH3-].[CH3-].[Mg+2]
• InChI: InChI=1S/C23H22N4O3.C23H20N4O3.C22H21NO2S.C15H21BN2O4.C10H14.C9H9BrN2O2.C5H3Br2N.C5H3BrN.2CH3.ClH.Mg.Ru/c2*1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3;1-17-13-15-21(16-14-17)26(24,25)23-22(20-11-7-4-8-12-20)18(2)19-9-5-3-6-10-19;1-14(2)15(3,4)22-16(21-14)11-7-10(8-17-9-11)12(19)13(20)18(5)6;1-8(2)10-6-4-9(3)5-7-10;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;6-4-1-5(7)3-8-2-4;6-5-2-1-3-7-4-5;;;;;/h4-13,21,28H,1-3H3,(H,25,26);4-13H,1-3H3,(H,25,26);3-16,18,22H,2H2,1H3;7-9H,1-6H3;4-8H,1-3H3;3-5H,1-2H3;1-3H;2-4H;2*1H3;1H;;/q;;-2;;;;;3*-1;;+2;+4/p-1/t21-;;18-,22+;;;;;;;;;;/m0.0........../s1
• InChIKey: DXAVDQIFCSGJAY-ZRVCZVIUSA-M
• XLogP: 22.75
• TPSA: 372.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2446.62
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene?

The IUPAC name of magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene (CID 159979604) is magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene.

What is the SMILES notation for magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene?

The canonical SMILES for magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene is Brc1c[c-]cnc1.Brc1cncc(Br)c1.CN(C)C(=O)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1.CN(C)C(=O)C(=O)c1cncc(Br)c1.COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1c[nH]c2ncc(-c3cncc([C@H](O)C(=O)N(C)C)c3)cc12.Cc1ccc(C(C)C)cc1.Cl[Ru+3].[CH2-][C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1.[CH3-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene?

The InChIKey is DXAVDQIFCSGJAY-ZRVCZVIUSA-M. The full InChI is InChI=1S/C23H22N4O3.C23H20N4O3.C22H21NO2S.C15H21BN2O4.C10H14.C9H9BrN2O2.C5H3Br2N.C5H3BrN.2CH3.ClH.Mg.Ru/c2*1-27(2)23(29)21(28)16-8-14(10-24-11-16)15-9-18-19(13-26-22(18)25-12-15)17-6-4-5-7-20(17)30-3;1-17-13-15-21(16-14-17)26(24,25)23-22(20-11-7-4-8-12-20)18(2)19-9-5-3-6-10-19;1-14(2)15(3,4)22-16(21-14)11-7-10(8-17-9-11)12(19)13(20)18(5)6;1-8(2)10-6-4-9(3)5-7-10;1-12(2)9(14)8(13)6-3-7(10)5-11-4-6;6-4-1-5(7)3-8-2-4;6-5-2-1-3-7-4-5;;;;;/h4-13,21,28H,1-3H3,(H,25,26);4-13H,1-3H3,(H,25,26);3-16,18,22H,2H2,1H3;7-9H,1-6H3;4-8H,1-3H3;3-5H,1-2H3;1-3H;2-4H;2*1H3;1H;;/q;;-2;;;;;3*-1;;+2;+4/p-1/t21-;;18-,22+;;;;;;;;;;/m0.0........../s1.

What are the key properties of magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene?

magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene has a molecular weight of 2446.62 g/mol, XLogP of 22.75, 22 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;5-bromo-3H-pyridin-3-ide;2-(5-bromo-3-pyridinyl)-N,N-dimethyl-2-oxoacetamide;carbanide;chlororuthenium(3+);3,5-dibromopyridine;N,N-dimethyl-2-oxo-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide;[(1R,2S)-1,2-diphenylpropyl]-(4-methylphenyl)sulfonylazanide;(2S)-2-hydroxy-2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide;2-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethyl-2-oxoacetamide;1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 159979604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).