3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide

C21H24ClN5O4S — CID 55408607

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24ClN5O4S/c1-6-31-17-9-7-15(12-18(17)32(29,30)26(4)5)23-21(28)20-16(22)8-10-19(24-20)27-14(3)11-13(2)25-27/h7-12H,6H2,1-5H3,(H,23,28)
InChIKeyAYFYFMQUQNNHLA-UHFFFAOYSA-N
MW477.97 g/mol
LogP3.44
Rot. Bonds7

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide (PubChem CID 55408607) has the molecular formula C21H24ClN5O4S and a molecular weight of 477.97 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide
PubChem CID55408607
Molecular FormulaC21H24ClN5O4S
Molecular Weight477.97 g/mol
Exact Mass477.12
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H24ClN5O4S/c1-6-31-17-9-7-15(12-18(17)32(29,30)26(4)5)23-21(28)20-16(22)8-10-19(24-20)27-14(3)11-13(2)25-27/h7-12H,6H2,1-5H3,(H,23,28)
InChIKeyAYFYFMQUQNNHLA-UHFFFAOYSA-N
XLogP3.44
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 3926647
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 55551117
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756894
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
CID 112768765
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyridine-2-carboxamide
CID 112803199
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 119438318
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
CID 78861473
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
CID 56527757
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26421889
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide (CID 55408607) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide?
The InChIKey is AYFYFMQUQNNHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O4S/c1-6-31-17-9-7-15(12-18(17)32(29,30)26(4)5)23-21(28)20-16(22)8-10-19(24-20)27-14(3)11-13(2)25-27/h7-12H,6H2,1-5H3,(H,23,28).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55408607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).