magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride

C77H81Cl4MgN10NaO16 — CID 161063275

IUPACmagnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride
SMILESCC(=O)c1cccnc1Cl.CC(=O)c1cccnc1Nc1ccccc1.CNOC.COC(=O)c1ccc(/C=C/C(=O)c2cccnc2Nc2ccccc2)c(OC)c1.COC(=O)c1ccc(C=O)c(OC)c1.CON(C)C(=O)c1cccnc1Cl.C[O-].Nc1ccccc1.O=C(O)c1cccnc1Cl.[CH3-].[Cl-].[Mg+2].[Na+]
InChIInChI=1S/C23H20N2O4.C13H12N2O.C10H10O4.C8H9ClN2O2.C7H6ClNO.C6H4ClNO2.C6H7N.C2H7NO.CH3O.CH3.ClH.Mg.Na/c1-28-21-15-17(23(27)29-2)11-10-16(21)12-13-20(26)19-9-6-14-24-22(19)25-18-7-4-3-5-8-18;1-10(16)12-8-5-9-14-13(12)15-11-6-3-2-4-7-11;1-13-9-5-7(10(12)14-2)3-4-8(9)6-11;1-11(13-2)8(12)6-4-3-5-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;7-5-4(6(9)10)2-1-3-8-5;7-6-4-2-1-3-5-6;1-3-4-2;1-2;;;;/h3-15H,1-2H3,(H,24,25);2-9H,1H3,(H,14,15);3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;1-3H,(H,9,10);1-5H,7H2;3H,1-2H3;1H3;1H3;1H;;/q;;;;;;;;2*-1;;+2;+1/p-1/b13-12+;;;;;;;;;;;;
InChIKeyWKHJOQGUEGNHFC-LUPQVVBDSA-M
MW1591.66 g/mol
LogP7.67
Rot. Bonds18

About magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride

magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride (PubChem CID 161063275) has the molecular formula C77H81Cl4MgN10NaO16 and a molecular weight of 1591.66 g/mol. Its IUPAC name is magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride.

Molecular Properties

Compound Namemagnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride
PubChem CID161063275
Molecular FormulaC77H81Cl4MgN10NaO16
Molecular Weight1591.66 g/mol
Exact Mass1588.43
IUPAC Namemagnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride
SMILESCC(=O)c1cccnc1Cl.CC(=O)c1cccnc1Nc1ccccc1.CNOC.COC(=O)c1ccc(/C=C/C(=O)c2cccnc2Nc2ccccc2)c(OC)c1.COC(=O)c1ccc(C=O)c(OC)c1.CON(C)C(=O)c1cccnc1Cl.C[O-].Nc1ccccc1.O=C(O)c1cccnc1Cl.[CH3-].[Cl-].[Mg+2].[Na+]
InChIInChI=1S/C23H20N2O4.C13H12N2O.C10H10O4.C8H9ClN2O2.C7H6ClNO.C6H4ClNO2.C6H7N.C2H7NO.CH3O.CH3.ClH.Mg.Na/c1-28-21-15-17(23(27)29-2)11-10-16(21)12-13-20(26)19-9-6-14-24-22(19)25-18-7-4-3-5-8-18;1-10(16)12-8-5-9-14-13(12)15-11-6-3-2-4-7-11;1-13-9-5-7(10(12)14-2)3-4-8(9)6-11;1-11(13-2)8(12)6-4-3-5-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;7-5-4(6(9)10)2-1-3-8-5;7-6-4-2-1-3-5-6;1-3-4-2;1-2;;;;/h3-15H,1-2H3,(H,24,25);2-9H,1H3,(H,14,15);3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;1-3H,(H,9,10);1-5H,7H2;3H,1-2H3;1H3;1H3;1H;;/q;;;;;;;;2*-1;;+2;+1/p-1/b13-12+;;;;;;;;;;;;
InChIKeyWKHJOQGUEGNHFC-LUPQVVBDSA-M
XLogP7.67
TPSA365.03 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.66
LogP ≤ 57.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride with MolForge

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Related Compounds

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
magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-fluorobenzoate;methyl 3-fluoro-4-formylbenzoate;chloride
CID 157575647
magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
CID 157799302
7-Chloro-3-phenyl-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1-propan-2-yl-1,6-naphthyridin-2-one;dioxomanganese;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-phenylacetate;propan-2-amine
CID 159083907
2-Chloropyridine-3-carboxylic acid;diethyl propanedioate;ethyl 4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;bis(2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid);bis(1-[(4-methoxyphenyl)methyl]pyrido[2,3-d][1,3]oxazine-2,4-dione);trichloromethyl carbonochloridate
CID 161227447

Frequently Asked Questions

What is the IUPAC name of magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride?
The IUPAC name of magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride (CID 161063275) is magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride.
What is the SMILES notation for magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride?
The canonical SMILES for magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride is CC(=O)c1cccnc1Cl.CC(=O)c1cccnc1Nc1ccccc1.CNOC.COC(=O)c1ccc(/C=C/C(=O)c2cccnc2Nc2ccccc2)c(OC)c1.COC(=O)c1ccc(C=O)c(OC)c1.CON(C)C(=O)c1cccnc1Cl.C[O-].Nc1ccccc1.O=C(O)c1cccnc1Cl.[CH3-].[Cl-].[Mg+2].[Na+].
What is the InChIKey of magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride?
The InChIKey is WKHJOQGUEGNHFC-LUPQVVBDSA-M. The full InChI is InChI=1S/C23H20N2O4.C13H12N2O.C10H10O4.C8H9ClN2O2.C7H6ClNO.C6H4ClNO2.C6H7N.C2H7NO.CH3O.CH3.ClH.Mg.Na/c1-28-21-15-17(23(27)29-2)11-10-16(21)12-13-20(26)19-9-6-14-24-22(19)25-18-7-4-3-5-8-18;1-10(16)12-8-5-9-14-13(12)15-11-6-3-2-4-7-11;1-13-9-5-7(10(12)14-2)3-4-8(9)6-11;1-11(13-2)8(12)6-4-3-5-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;7-5-4(6(9)10)2-1-3-8-5;7-6-4-2-1-3-5-6;1-3-4-2;1-2;;;;/h3-15H,1-2H3,(H,24,25);2-9H,1H3,(H,14,15);3-6H,1-2H3;3-5H,1-2H3;2-4H,1H3;1-3H,(H,9,10);1-5H,7H2;3H,1-2H3;1H3;1H3;1H;;/q;;;;;;;;2*-1;;+2;+1/p-1/b13-12+;;;;;;;;;;;;.
What are the key properties of magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride?
magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride has a molecular weight of 1591.66 g/mol, XLogP of 7.67, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoate;methyl 4-formyl-3-methoxybenzoate;chloride is sourced from PubChem (CID 161063275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).