magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride

C104H120BBrCl3MgN25O10 — CID 158370549

About magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride

magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride (PubChem CID 158370549) has the molecular formula C104H120BBrCl3MgN25O10 and a molecular weight of 2101.65 g/mol. Its IUPAC name is magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride
• PubChem CID: 158370549
• Molecular Formula: C104H120BBrCl3MgN25O10
• Molecular Weight: 2101.65 g/mol
• Exact Mass: 2097.78
• IUPAC Name: magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccnc(C#N)c1.CCCCCc1ccnc(C#N)c1.CCN.CCN(CCc1ccnc(C#N)c1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1ccnc(C(=O)OC)c1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1ccnc(C(C)(C)O)c1)C(=O)c1ccccc1-n1nccn1.Cl.Clc1ccnc(Cl)c1.O=C(O)c1ccccc1-n1nccn1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C21H25N5O2.C20H21N5O3.C19H18N6O.C11H14N2.C9H7N3O2.C8H15BO2.C8H6N2.C5H3Cl2N.C2H7N.CH3.BrH.ClH.Mg/c1-4-25(14-10-16-9-11-22-19(15-16)21(2,3)28)20(27)17-7-5-6-8-18(17)26-23-12-13-24-26;1-3-24(13-9-15-8-10-21-17(14-15)20(27)28-2)19(26)16-6-4-5-7-18(16)25-22-11-12-23-25;1-2-24(12-8-15-7-9-21-16(13-15)14-20)19(26)17-5-3-4-6-18(17)25-22-10-11-23-25;1-2-3-4-5-10-6-7-13-11(8-10)9-12;13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12;1-6-9-10-7(2,3)8(4,5)11-9;1-2-7-3-4-10-8(5-7)6-9;6-4-1-2-8-5(7)3-4;1-2-3;;;;/h5-9,11-13,15,28H,4,10,14H2,1-3H3;4-8,10-12,14H,3,9,13H2,1-2H3;3-7,9-11,13H,2,8,12H2,1H3;6-8H,2-5H2,1H3;1-6H,(H,13,14);6H,1H2,2-5H3;2-5H,1H2;1-3H;2-3H2,1H3;1H3;2*1H;/q;;;;;;;;;-1;;;+2/p-1
• InChIKey: FLJLJLXMAAUKLW-UHFFFAOYSA-M
• XLogP: 13.89
• TPSA: 460.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.65
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride?

The IUPAC name of magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride (CID 158370549) is magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride.

What is the SMILES notation for magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride?

The canonical SMILES for magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccnc(C#N)c1.CCCCCc1ccnc(C#N)c1.CCN.CCN(CCc1ccnc(C#N)c1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1ccnc(C(=O)OC)c1)C(=O)c1ccccc1-n1nccn1.CCN(CCc1ccnc(C(C)(C)O)c1)C(=O)c1ccccc1-n1nccn1.Cl.Clc1ccnc(Cl)c1.O=C(O)c1ccccc1-n1nccn1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride?

The InChIKey is FLJLJLXMAAUKLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H25N5O2.C20H21N5O3.C19H18N6O.C11H14N2.C9H7N3O2.C8H15BO2.C8H6N2.C5H3Cl2N.C2H7N.CH3.BrH.ClH.Mg/c1-4-25(14-10-16-9-11-22-19(15-16)21(2,3)28)20(27)17-7-5-6-8-18(17)26-23-12-13-24-26;1-3-24(13-9-15-8-10-21-17(14-15)20(27)28-2)19(26)16-6-4-5-7-18(16)25-22-11-12-23-25;1-2-24(12-8-15-7-9-21-16(13-15)14-20)19(26)17-5-3-4-6-18(17)25-22-10-11-23-25;1-2-3-4-5-10-6-7-13-11(8-10)9-12;13-9(14)7-3-1-2-4-8(7)12-10-5-6-11-12;1-6-9-10-7(2,3)8(4,5)11-9;1-2-7-3-4-10-8(5-7)6-9;6-4-1-2-8-5(7)3-4;1-2-3;;;;/h5-9,11-13,15,28H,4,10,14H2,1-3H3;4-8,10-12,14H,3,9,13H2,1-2H3;3-7,9-11,13H,2,8,12H2,1H3;6-8H,2-5H2,1H3;1-6H,(H,13,14);6H,1H2,2-5H3;2-5H,1H2;1-3H;2-3H2,1H3;1H3;2*1H;/q;;;;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride?

magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride has a molecular weight of 2101.65 g/mol, XLogP of 13.89, 28 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;N-[2-(2-cyano-4-pyridinyl)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide;2,4-dichloropyridine;ethanamine;4-ethenylpyridine-2-carbonitrile;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]ethyl]-2-(triazol-2-yl)benzamide;methyl 4-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyridine-2-carboxylate;4-pentylpyridine-2-carbonitrile;2-(triazol-2-yl)benzoic acid;bromide;hydrochloride is sourced from PubChem (CID 158370549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).