magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride

C24H34ClMgN5O5 — CID 159981159

IUPACmagnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride
SMILESCCCC(=O)c1ccc(NC(C)=O)nc1.CON(C)C(=O)c1ccc(NC(C)=O)nc1.[CH2-]CC.[Cl-].[Mg+2]
InChIInChI=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
InChIKeyUEJCULZKJYMRDD-UHFFFAOYSA-M
MW532.32 g/mol
LogP0.55
Rot. Bonds7

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 Namemagnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride
PubChem CID159981159
Molecular FormulaC24H34ClMgN5O5
Molecular Weight532.32 g/mol
Exact Mass531.21
IUPAC Namemagnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride
SMILESCCCC(=O)c1ccc(NC(C)=O)nc1.CON(C)C(=O)c1ccc(NC(C)=O)nc1.[CH2-]CC.[Cl-].[Mg+2]
InChIInChI=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
InChIKeyUEJCULZKJYMRDD-UHFFFAOYSA-M
XLogP0.55
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;6-acetamido-N-methoxy-N-methylpyridine-3-carboxamide;N-(5-butanoyl-2-pyridinyl)acetamide;propane;chloride with MolForge

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Launch Full Analysis

Related Compounds

N-methoxy-N-methyl-6-propylpyridine-3-carboxamide
CID 118255839
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450
6-[(2,6-difluorobenzoyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
CID 53406980
6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
CID 91022800
N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
CID 159365691
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62337035
6-(ethylamino)-N-(3-methoxypropyl)-N-methylpyridine-3-carboxamide
CID 63009314
6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 62169431
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
methyl (E)-3-(6-acetamido-3-pyridinyl)prop-2-enoate
CID 86754877

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).