6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride

C53H63Cl6N9O11S3 — CID 158447983

IUPAC6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
SMILESCOCCCN.COCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cn1.COc1cccc(N)c1.COc1cccc(NC(=O)c2ccc(Cl)nc2)c1.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.S.S
InChIInChI=1S/C17H21N3O3.C13H11ClN2O2.C7H9NO.C6H3Cl2NO.C6H4ClNO2.C4H11NO.Cl2OS.2H2S/c1-22-10-4-9-18-16-8-7-13(12-19-16)17(21)20-14-5-3-6-15(11-14)23-2;1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9;1-9-7-4-2-3-6(8)5-7;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;1-6-4-2-3-5;1-4(2)3;;/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,18,19)(H,20,21);2-8H,1H3,(H,16,17);2-5H,8H2,1H3;1-3H;1-3H,(H,9,10);2-5H2,1H3;;2*1H2
InChIKeyHDPWVHUYCHLHJN-UHFFFAOYSA-N
MW1311.06 g/mol
LogP11.86
Rot. Bonds17

About 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride

6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride (PubChem CID 158447983) has the molecular formula C53H63Cl6N9O11S3 and a molecular weight of 1311.06 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
PubChem CID158447983
Molecular FormulaC53H63Cl6N9O11S3
Molecular Weight1311.06 g/mol
Exact Mass1307.19
IUPAC Name6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
SMILESCOCCCN.COCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cn1.COc1cccc(N)c1.COc1cccc(NC(=O)c2ccc(Cl)nc2)c1.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.S.S
InChIInChI=1S/C17H21N3O3.C13H11ClN2O2.C7H9NO.C6H3Cl2NO.C6H4ClNO2.C4H11NO.Cl2OS.2H2S/c1-22-10-4-9-18-16-8-7-13(12-19-16)17(21)20-14-5-3-6-15(11-14)23-2;1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9;1-9-7-4-2-3-6(8)5-7;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;1-6-4-2-3-5;1-4(2)3;;/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,18,19)(H,20,21);2-8H,1H3,(H,16,17);2-5H,8H2,1H3;1-3H;1-3H,(H,9,10);2-5H2,1H3;;2*1H2
InChIKeyHDPWVHUYCHLHJN-UHFFFAOYSA-N
XLogP11.86
TPSA291.42 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001311.06
LogP ≤ 511.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride with MolForge

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Related Compounds

6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-(trifluoromethoxy)aniline
CID 157920305
5-chloro-N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 161901304
5-chloro-N-(3-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide;5-chloro-6-piperidin-1-ylpyridine-3-carboxylic acid
CID 68745024
2-(3-chloro-5-methoxyanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide;2-(3-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 90095947
5-Chloro-6-[4-[(3-methoxyphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141193619
5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane
CID 157356155
lithium;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;6-chloro-4-methoxypyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;6-[(5-fluoro-2-pyridinyl)amino]-4-methoxypyridine-3-carboxylic acid;6-[(5-fluoro-2-pyridinyl)amino]-4-oxo-1H-pyridine-3-carboxylic acid;methane;hydroxide;hydrobromide
CID 157544617
6-[[[5-Chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]methyl]pyridine-3-carboxylic acid
CID 157597418
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)-3-pyridinyl]methanol;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 157646943
Dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;7-chloro-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(1-methylpiperidin-4-yl)-3-phenyl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate
CID 157792651
tert-butyl 4-[5-[[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutan-1-amine;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-piperazin-1-ylpyridine-3-carboxamide;6-chloropyridine-3-carboxylic acid;methane;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;dihydrochloride
CID 157966366
CID 158353670
CID 158353670

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride (CID 158447983) is 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride is COCCCN.COCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cn1.COc1cccc(N)c1.COc1cccc(NC(=O)c2ccc(Cl)nc2)c1.O=C(Cl)c1ccc(Cl)nc1.O=C(O)c1ccc(Cl)nc1.O=S(Cl)Cl.S.S.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
The InChIKey is HDPWVHUYCHLHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.C13H11ClN2O2.C7H9NO.C6H3Cl2NO.C6H4ClNO2.C4H11NO.Cl2OS.2H2S/c1-22-10-4-9-18-16-8-7-13(12-19-16)17(21)20-14-5-3-6-15(11-14)23-2;1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9;1-9-7-4-2-3-6(8)5-7;7-5-2-1-4(3-9-5)6(8)10;7-5-2-1-4(3-8-5)6(9)10;1-6-4-2-3-5;1-4(2)3;;/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,18,19)(H,20,21);2-8H,1H3,(H,16,17);2-5H,8H2,1H3;1-3H;1-3H,(H,9,10);2-5H2,1H3;;2*1H2.
What are the key properties of 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride?
6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride has a molecular weight of 1311.06 g/mol, XLogP of 11.86, 17 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride is sourced from PubChem (CID 158447983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).