6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine

C₃₉H₄₀ClF₂N₁₁O₇S₂ — CID 161321206

About 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine

6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine (PubChem CID 161321206) has the molecular formula C₃₉H₄₀ClF₂N₁₁O₇S₂ and a molecular weight of 912.40 g/mol. Its IUPAC name is 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine.

Molecular Properties

• Compound Name: 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine
• PubChem CID: 161321206
• Molecular Formula: C₃₉H₄₀ClF₂N₁₁O₇S₂
• Molecular Weight: 912.40 g/mol
• Exact Mass: 911.22
• IUPAC Name: 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine
• SMILES: CN(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)ncc1C(=O)O.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C.Nc1ccc(F)cn1
• InChI: InChI=1S/C20H21FN6O3S.C14H14ClN3O4S.C5H5FN2/c1-22-20(28)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)31(29,30)27(2)3;1-18(2)23(21,22)12-6-4-3-5-10(12)17-11-7-13(15)16-8-9(11)14(19)20;6-4-1-2-5(7)8-3-4/h4-12H,1-3H3,(H,22,28)(H2,23,24,25,26);3-8H,1-2H3,(H,16,17)(H,19,20);1-3H,(H2,7,8)
• InChIKey: VKEANOQNPOMAGQ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 254.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	912.40
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine?

The IUPAC name of 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine (CID 161321206) is 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine.

What is the SMILES notation for 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine?

The canonical SMILES for 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine is CN(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)ncc1C(=O)O.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C.Nc1ccc(F)cn1.

What is the InChIKey of 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine?

The InChIKey is VKEANOQNPOMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3S.C14H14ClN3O4S.C5H5FN2/c1-22-20(28)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)31(29,30)27(2)3;1-18(2)23(21,22)12-6-4-3-5-10(12)17-11-7-13(15)16-8-9(11)14(19)20;6-4-1-2-5(7)8-3-4/h4-12H,1-3H3,(H,22,28)(H2,23,24,25,26);3-8H,1-2H3,(H,16,17)(H,19,20);1-3H,(H2,7,8).

What are the key properties of 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine?

6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine has a molecular weight of 912.40 g/mol, XLogP of 5.94, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-[2-(dimethylsulfamoyl)anilino]pyridine-3-carboxylic acid;4-[2-(dimethylsulfamoyl)anilino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine is sourced from PubChem (CID 161321206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161321206 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.