About magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride
magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride (PubChem CID 159981159) has the molecular formula C24H34ClMgN5O5
and a molecular weight of 532.32 g/mol. Its IUPAC name is magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride.
Molecular Properties
| Compound Name | magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride |
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| PubChem CID | 159981159 |
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| Molecular Formula | C24H34ClMgN5O5 |
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| Molecular Weight | 532.32 g/mol |
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| Exact Mass | 531.21 |
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| IUPAC Name | magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride |
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| SMILES | CCCC(=O)c1ccc(NC(C)=O)nc1.CON(C)C(=O)c1ccc(NC(C)=O)nc1.[CH2-]CC.[Cl-].[Mg+2] |
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| InChI | InChI=1S/C11H14N2O2.C10H13N3O3.C3H7.ClH.Mg/c1-3-4-10(15)9-5-6-11(12-7-9)13-8(2)14;1-7(14)12-9-5-4-8(6-11-9)10(15)13(2)16-3;1-3-2;;/h5-7H,3-4H2,1-2H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,14);1,3H2,2H3;1H;/q;;-1;;+2/p-1 |
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| InChIKey | UEJCULZKJYMRDD-UHFFFAOYSA-M |
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| XLogP | 0.55 |
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| TPSA | 130.59 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 532.32 |
| LogP ≤ 5 | 0.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride?
The IUPAC name of magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride (CID 159981159) is magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride.
What is the SMILES notation for magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride?
The canonical SMILES for magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride is CCCC(=O)c1ccc(NC(C)=O)nc1.CON(C)C(=O)c1ccc(NC(C)=O)nc1.[CH2-]CC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride?
The InChIKey is UEJCULZKJYMRDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O2.C10H13N3O3.C3H7.ClH.Mg/c1-3-4-10(15)9-5-6-11(12-7-9)13-8(2)14;1-7(14)12-9-5-4-8(6-11-9)10(15)13(2)16-3;1-3-2;;/h5-7H,3-4H2,1-2H3,(H,12,13,14);4-6H,1-3H3,(H,11,12,14);1,3H2,2H3;1H;/q;;-1;;+2/p-1.
What are the key properties of magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride?
magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride has a molecular weight of 532.32 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride is sourced from PubChem (CID 159981159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).