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

IUPAC6-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
SMILESCN(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)ncc1C(=O)O.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C.Nc1ccc(F)cn1
InChIInChI=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)
InChIKeyVKEANOQNPOMAGQ-UHFFFAOYSA-N
MW912.40 g/mol
LogP5.94
Rot. Bonds12

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 Name6-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 CID161321206
Molecular FormulaC39H40ClF2N11O7S2
Molecular Weight912.40 g/mol
Exact Mass911.22
IUPAC Name6-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
SMILESCN(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)ncc1C(=O)O.CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(=O)(=O)N(C)C.Nc1ccc(F)cn1
InChIInChI=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)
InChIKeyVKEANOQNPOMAGQ-UHFFFAOYSA-N
XLogP5.94
TPSA254.83 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500912.40
LogP ≤ 55.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

aniline;4-anilino-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide;4-chloro-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 160857576
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridine-3-carboxamide;3-methylsulfanylpyridin-2-amine
CID 158138843
4-(2-carbamoylanilino)-N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide;4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxylic acid;methane
CID 144625201
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;5-methylpyridin-2-amine
CID 159860535
6-amino-N-methyl-4-(2-methylanilino)pyridine-3-carboxamide
CID 122579392
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
6-chloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 164529757
lithium;bis(trimethylsilyl)azanide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;4,6-dichloro-N-(trideuteriomethyl)pyridine-3-carboxamide;3-methylsulfanylpyridin-2-amine;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[(5-phenyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;5-phenylpyridin-2-amine
CID 157326577
4-[(1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 171437161
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290

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).