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

C22H26ClN5O3S — CID 3926647

IUPAC3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1C
InChIInChI=1S/C22H26ClN5O3S/c1-6-27(7-2)32(30,31)19-13-17(9-8-14(19)3)24-22(29)21-18(23)10-11-20(25-21)28-16(5)12-15(4)26-28/h8-13H,6-7H2,1-5H3,(H,24,29)
InChIKeyXREHHRLMAHFAOW-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.13
Rot. Bonds7

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

3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 3926647) has the molecular formula C22H26ClN5O3S and a molecular weight of 476.00 g/mol. Its IUPAC name is 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID3926647
Molecular FormulaC22H26ClN5O3S
Molecular Weight476.00 g/mol
Exact Mass475.14
IUPAC Name3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1C
InChIInChI=1S/C22H26ClN5O3S/c1-6-27(7-2)32(30,31)19-13-17(9-8-14(19)3)24-22(29)21-18(23)10-11-20(25-21)28-16(5)12-15(4)26-28/h8-13H,6-7H2,1-5H3,(H,24,29)
InChIKeyXREHHRLMAHFAOW-UHFFFAOYSA-N
XLogP4.13
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyridine-2-carboxamide
CID 55408607
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 55551117
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-[3-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 119438318
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
CID 78861473
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55875545
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(3-fluoro-5-sulfamoylphenyl)pyridine-2-carboxamide
CID 56527757
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 3926647) is 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1C.
What is the InChIKey of 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is XREHHRLMAHFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3S/c1-6-27(7-2)32(30,31)19-13-17(9-8-14(19)3)24-22(29)21-18(23)10-11-20(25-21)28-16(5)12-15(4)26-28/h8-13H,6-7H2,1-5H3,(H,24,29).
What are the key properties of 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 3926647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).