magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride

C85H75Cl2F15MgN11NaO15 — CID 160545958

IUPACmagnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
SMILESCC(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.CNOC.COC(=O)c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2Nc2ccccc2)cc1.COC(=O)c1ccc(C=O)cc1.CON(C)C(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.C[O-].O=C(O)c1ccc(C(F)(F)F)nc1Cl.O=C(O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.[CH3-].[Cl-].[Mg+2].[Na+]
InChIInChI=1S/C23H17F3N2O3.C15H14F3N3O2.C14H11F3N2O.C13H9F3N2O2.C9H8O3.C7H3ClF3NO2.C2H7NO.CH3O.CH3.ClH.Mg.Na/c1-31-22(30)16-10-7-15(8-11-16)9-13-19(29)18-12-14-20(23(24,25)26)28-21(18)27-17-5-3-2-4-6-17;1-21(23-2)14(22)11-8-9-12(15(16,17)18)20-13(11)19-10-6-4-3-5-7-10;1-9(20)11-7-8-12(14(15,16)17)19-13(11)18-10-5-3-2-4-6-10;14-13(15,16)10-7-6-9(12(19)20)11(18-10)17-8-4-2-1-3-5-8;1-12-9(11)8-4-2-7(6-10)3-5-8;8-5-3(6(13)14)1-2-4(12-5)7(9,10)11;1-3-4-2;1-2;;;;/h2-14H,1H3,(H,27,28);3-9H,1-2H3,(H,19,20);2-8H,1H3,(H,18,19);1-7H,(H,17,18)(H,19,20);2-6H,1H3;1-2H,(H,13,14);3H,1-2H3;1H3;1H3;1H;;/q;;;;;;;2*-1;;+2;+1/p-1/b13-9+;;;;;;;;;;;
InChIKeyDDLCICJETCCGNM-UFJBNCKXSA-M
MW1893.77 g/mol
LogP13.15
Rot. Bonds20

About magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride

magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride (PubChem CID 160545958) has the molecular formula C85H75Cl2F15MgN11NaO15 and a molecular weight of 1893.77 g/mol. Its IUPAC name is magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride.

Molecular Properties

Compound Namemagnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
PubChem CID160545958
Molecular FormulaC85H75Cl2F15MgN11NaO15
Molecular Weight1893.77 g/mol
Exact Mass1891.43
IUPAC Namemagnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
SMILESCC(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.CNOC.COC(=O)c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2Nc2ccccc2)cc1.COC(=O)c1ccc(C=O)cc1.CON(C)C(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.C[O-].O=C(O)c1ccc(C(F)(F)F)nc1Cl.O=C(O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.[CH3-].[Cl-].[Mg+2].[Na+]
InChIInChI=1S/C23H17F3N2O3.C15H14F3N3O2.C14H11F3N2O.C13H9F3N2O2.C9H8O3.C7H3ClF3NO2.C2H7NO.CH3O.CH3.ClH.Mg.Na/c1-31-22(30)16-10-7-15(8-11-16)9-13-19(29)18-12-14-20(23(24,25)26)28-21(18)27-17-5-3-2-4-6-17;1-21(23-2)14(22)11-8-9-12(15(16,17)18)20-13(11)19-10-6-4-3-5-7-10;1-9(20)11-7-8-12(14(15,16)17)19-13(11)18-10-5-3-2-4-6-10;14-13(15,16)10-7-6-9(12(19)20)11(18-10)17-8-4-2-1-3-5-8;1-12-9(11)8-4-2-7(6-10)3-5-8;8-5-3(6(13)14)1-2-4(12-5)7(9,10)11;1-3-4-2;1-2;;;;/h2-14H,1H3,(H,27,28);3-9H,1-2H3,(H,19,20);2-8H,1H3,(H,18,19);1-7H,(H,17,18)(H,19,20);2-6H,1H3;1-2H,(H,13,14);3H,1-2H3;1H3;1H3;1H;;/q;;;;;;;2*-1;;+2;+1/p-1/b13-9+;;;;;;;;;;;
InChIKeyDDLCICJETCCGNM-UFJBNCKXSA-M
XLogP13.15
TPSA364.84 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001893.77
LogP ≤ 513.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride?
The IUPAC name of magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride (CID 160545958) is magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride.
What is the SMILES notation for magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride?
The canonical SMILES for magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride is CC(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.CNOC.COC(=O)c1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)nc2Nc2ccccc2)cc1.COC(=O)c1ccc(C=O)cc1.CON(C)C(=O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.C[O-].O=C(O)c1ccc(C(F)(F)F)nc1Cl.O=C(O)c1ccc(C(F)(F)F)nc1Nc1ccccc1.[CH3-].[Cl-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride?
The InChIKey is DDLCICJETCCGNM-UFJBNCKXSA-M. The full InChI is InChI=1S/C23H17F3N2O3.C15H14F3N3O2.C14H11F3N2O.C13H9F3N2O2.C9H8O3.C7H3ClF3NO2.C2H7NO.CH3O.CH3.ClH.Mg.Na/c1-31-22(30)16-10-7-15(8-11-16)9-13-19(29)18-12-14-20(23(24,25)26)28-21(18)27-17-5-3-2-4-6-17;1-21(23-2)14(22)11-8-9-12(15(16,17)18)20-13(11)19-10-6-4-3-5-7-10;1-9(20)11-7-8-12(14(15,16)17)19-13(11)18-10-5-3-2-4-6-10;14-13(15,16)10-7-6-9(12(19)20)11(18-10)17-8-4-2-1-3-5-8;1-12-9(11)8-4-2-7(6-10)3-5-8;8-5-3(6(13)14)1-2-4(12-5)7(9,10)11;1-3-4-2;1-2;;;;/h2-14H,1H3,(H,27,28);3-9H,1-2H3,(H,19,20);2-8H,1H3,(H,18,19);1-7H,(H,17,18)(H,19,20);2-6H,1H3;1-2H,(H,13,14);3H,1-2H3;1H3;1H3;1H;;/q;;;;;;;2*-1;;+2;+1/p-1/b13-9+;;;;;;;;;;;.
What are the key properties of magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride?
magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride has a molecular weight of 1893.77 g/mol, XLogP of 13.15, 20 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;2-anilino-N-methoxy-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-anilino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]ethanone;carbanide;2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride is sourced from PubChem (CID 160545958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).