magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide

C87H77Br3MgN20O14 — CID 164969110

About magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide

magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide (PubChem CID 164969110) has the molecular formula C87H77Br3MgN20O14 and a molecular weight of 1890.72 g/mol. Its IUPAC name is magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide.

Molecular Properties

• Compound Name: magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide
• PubChem CID: 164969110
• Molecular Formula: C87H77Br3MgN20O14
• Molecular Weight: 1890.72 g/mol
• Exact Mass: 1886.33
• IUPAC Name: magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide
• SMILES: CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3ccncc3n3ncc(C=O)c23)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(NC(=O)c2ccncc2Br)cc1.O=C(O)c1ccncc1Br.O=Cc1cn[nH]c1.[Br-].[C-]#C.[Mg+2].c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C23H25N5O5.C18H13N5O3.C14H12BrN3O2.C12H8N2.C8H10N2O.C6H4BrNO2.C4H4N2O.C2H.BrH.Mg/c1-23(2,3)33-22(32)26-10-9-17-18(12-26)28-20(15(13-29)11-25-28)27(21(17)31)16-7-5-14(6-8-16)19(30)24-4;1-19-16(25)11-2-4-13(5-3-11)22-17-12(10-24)8-21-23(17)15-9-20-7-6-14(15)18(22)26;1-16-13(19)9-2-4-10(5-3-9)18-14(20)11-6-7-17-8-12(11)15;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10-8(11)6-2-4-7(9)5-3-6;7-5-3-8-2-1-4(5)6(9)10;7-3-4-1-5-6-2-4;1-2;;/h5-8,11,13H,9-10,12H2,1-4H3,(H,24,30);2-10H,1H3,(H,19,25);2-8H,1H3,(H,16,19)(H,18,20);1-8H;2-5H,9H2,1H3,(H,10,11);1-3H,(H,9,10);1-3H,(H,5,6);1H;1H;/q;;;;;;;-1;;+2/p-1
• InChIKey: BZGAHJWRIUPVAJ-UHFFFAOYSA-M
• XLogP: 7.62
• TPSA: 461.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1890.72
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide?

The IUPAC name of magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide (CID 164969110) is magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide.

What is the SMILES notation for magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide?

The canonical SMILES for magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide is CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(C=O)c24)CN(C(=O)OC(C)(C)C)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3ccncc3n3ncc(C=O)c23)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(NC(=O)c2ccncc2Br)cc1.O=C(O)c1ccncc1Br.O=Cc1cn[nH]c1.[Br-].[C-]#C.[Mg+2].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide?

The InChIKey is BZGAHJWRIUPVAJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25N5O5.C18H13N5O3.C14H12BrN3O2.C12H8N2.C8H10N2O.C6H4BrNO2.C4H4N2O.C2H.BrH.Mg/c1-23(2,3)33-22(32)26-10-9-17-18(12-26)28-20(15(13-29)11-25-28)27(21(17)31)16-7-5-14(6-8-16)19(30)24-4;1-19-16(25)11-2-4-13(5-3-11)22-17-12(10-24)8-21-23(17)15-9-20-7-6-14(15)18(22)26;1-16-13(19)9-2-4-10(5-3-9)18-14(20)11-6-7-17-8-12(11)15;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-10-8(11)6-2-4-7(9)5-3-6;7-5-3-8-2-1-4(5)6(9)10;7-3-4-1-5-6-2-4;1-2;;/h5-8,11,13H,9-10,12H2,1-4H3,(H,24,30);2-10H,1H3,(H,19,25);2-8H,1H3,(H,16,19)(H,18,20);1-8H;2-5H,9H2,1H3,(H,10,11);1-3H,(H,9,10);1-3H,(H,5,6);1H;1H;/q;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide?

magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide has a molecular weight of 1890.72 g/mol, XLogP of 7.62, 12 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;tert-butyl 5-formyl-7-[4-(methylcarbamoyl)phenyl]-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-triene-12-carboxylate;ethyne;4-(5-formyl-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-methylbenzamide;1,10-phenanthroline;1H-pyrazole-4-carbaldehyde;bromide is sourced from PubChem (CID 164969110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).