magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide

C123H174Br2Cl2CuMgN11O8 — CID 159661887

About magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide

magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide (PubChem CID 159661887) has the molecular formula C123H174Br2Cl2CuMgN11O8 and a molecular weight of 2253.38 g/mol. Its IUPAC name is magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide.

Molecular Properties

• Compound Name: magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide
• PubChem CID: 159661887
• Molecular Formula: C123H174Br2Cl2CuMgN11O8
• Molecular Weight: 2253.38 g/mol
• Exact Mass: 2248.04
• IUPAC Name: magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide
• SMILES: CC.CC.CC.CC(C)(C)C[C@@H]1NCCC[C@@H]1C(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1ncccc1C(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cccc(NC(=O)c2cccnc2Br)c1.Cc1ccccc1C(=O)Cl.Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1CC(C)(C)C.O=C(O)c1cccnc1Br.[C-]#N.[CH2-]C(C)(C)C.[Cl-].[Cu+].[Mg+2]
• InChI: InChI=1S/C29H40N2O2.C21H34N2O.C21H28N2O.C16H17BrN2O.C10H15N.C8H7ClO.C6H4BrNO2.C5H11.3C2H6.CN.ClH.Cu.Mg/c1-20-12-8-9-15-23(20)27(33)31-17-11-16-24(25(31)19-28(2,3)4)26(32)30-22-14-10-13-21(18-22)29(5,6)7;2*1-20(2,3)14-18-17(11-8-12-22-18)19(24)23-16-10-7-9-15(13-16)21(4,5)6;1-16(2,3)11-6-4-7-12(10-11)19-15(20)13-8-5-9-18-14(13)17;1-10(2,3)8-5-4-6-9(11)7-8;1-6-4-2-3-5-7(6)8(9)10;7-5-4(6(9)10)2-1-3-8-5;1-5(2,3)4;4*1-2;;;/h8-10,12-15,18,24-25H,11,16-17,19H2,1-7H3,(H,30,32);7,9-10,13,17-18,22H,8,11-12,14H2,1-6H3,(H,23,24);7-13H,14H2,1-6H3,(H,23,24);4-10H,1-3H3,(H,19,20);4-7H,11H2,1-3H3;2-5H,1H3;1-3H,(H,9,10);1H2,2-4H3;3*1-2H3;;1H;;/q;;;;;;;-1;;;;-1;;+1;+2/p-1/t24-,25-;17-,18-;;;;;;;;;;;;;/m00............./s1
• InChIKey: OZINPHGERVLVOU-XNSUHHGUSA-M
• XLogP: 29.07
• TPSA: 291.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.38
LogP ≤ 5	29.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide?

The IUPAC name of magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide (CID 159661887) is magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide.

What is the SMILES notation for magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide?

The canonical SMILES for magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide is CC.CC.CC.CC(C)(C)C[C@@H]1NCCC[C@@H]1C(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)Cc1ncccc1C(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1cccc(NC(=O)c2cccnc2Br)c1.Cc1ccccc1C(=O)Cl.Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1CC(C)(C)C.O=C(O)c1cccnc1Br.[C-]#N.[CH2-]C(C)(C)C.[Cl-].[Cu+].[Mg+2].

What is the InChIKey of magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide?

The InChIKey is OZINPHGERVLVOU-XNSUHHGUSA-M. The full InChI is InChI=1S/C29H40N2O2.C21H34N2O.C21H28N2O.C16H17BrN2O.C10H15N.C8H7ClO.C6H4BrNO2.C5H11.3C2H6.CN.ClH.Cu.Mg/c1-20-12-8-9-15-23(20)27(33)31-17-11-16-24(25(31)19-28(2,3)4)26(32)30-22-14-10-13-21(18-22)29(5,6)7;2*1-20(2,3)14-18-17(11-8-12-22-18)19(24)23-16-10-7-9-15(13-16)21(4,5)6;1-16(2,3)11-6-4-7-12(10-11)19-15(20)13-8-5-9-18-14(13)17;1-10(2,3)8-5-4-6-9(11)7-8;1-6-4-2-3-5-7(6)8(9)10;7-5-4(6(9)10)2-1-3-8-5;1-5(2,3)4;4*1-2;;;/h8-10,12-15,18,24-25H,11,16-17,19H2,1-7H3,(H,30,32);7,9-10,13,17-18,22H,8,11-12,14H2,1-6H3,(H,23,24);7-13H,14H2,1-6H3,(H,23,24);4-10H,1-3H3,(H,19,20);4-7H,11H2,1-3H3;2-5H,1H3;1-3H,(H,9,10);1H2,2-4H3;3*1-2H3;;1H;;/q;;;;;;;-1;;;;-1;;+1;+2/p-1/t24-,25-;17-,18-;;;;;;;;;;;;;/m00............./s1.

What are the key properties of magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide?

magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide has a molecular weight of 2253.38 g/mol, XLogP of 29.07, 14 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-bromo-N-(3-tert-butylphenyl)pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;3-tert-butylaniline;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)-1-(2-methylbenzoyl)piperidine-3-carboxamide;(2S,3S)-N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)piperidine-3-carboxamide;N-(3-tert-butylphenyl)-2-(2,2-dimethylpropyl)pyridine-3-carboxamide;copper(1+);ethane;2-methanidyl-2-methylpropane;2-methylbenzoyl chloride;chloride;cyanide is sourced from PubChem (CID 159661887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).