1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide

C23H22N6O4S — CID 30249387

IUPAC1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CCC2=O)c1
InChIInChI=1S/C23H22N6O4S/c1-15-4-5-16(2)20(14-15)29-21(30)11-10-19(27-29)22(31)26-17-6-8-18(9-7-17)34(32,33)28-23-24-12-3-13-25-23/h3-9,12-14H,10-11H2,1-2H3,(H,26,31)(H,24,25,28)
InChIKeyFXHHMYGSWQARBV-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.02
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide

1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30249387) has the molecular formula C23H22N6O4S and a molecular weight of 478.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID30249387
Molecular FormulaC23H22N6O4S
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC Name1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESCc1ccc(C)c(N2N=C(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CCC2=O)c1
InChIInChI=1S/C23H22N6O4S/c1-15-4-5-16(2)20(14-15)29-21(30)11-10-19(27-29)22(31)26-17-6-8-18(9-7-17)34(32,33)28-23-24-12-3-13-25-23/h3-9,12-14H,10-11H2,1-2H3,(H,26,31)(H,24,25,28)
InChIKeyFXHHMYGSWQARBV-UHFFFAOYSA-N
XLogP3.02
TPSA133.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dimethylphenyl)-6-oxo-N-[3-(pyrimidin-2-ylamino)propyl]-4,5-dihydropyridazine-3-carboxamide
CID 60518761
1-(2,5-dimethylphenyl)-N-[3-(dimethylsulfamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26289227
1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51072519
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8702036
1-(2,5-dimethylphenyl)-6-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 43056022
1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
1-(2,5-dimethylphenyl)-6-oxo-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55620275
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
1-(2,5-dimethylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30258041
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide (CID 30249387) is 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide is Cc1ccc(C)c(N2N=C(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CCC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FXHHMYGSWQARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S/c1-15-4-5-16(2)20(14-15)29-21(30)11-10-19(27-29)22(31)26-17-6-8-18(9-7-17)34(32,33)28-23-24-12-3-13-25-23/h3-9,12-14H,10-11H2,1-2H3,(H,26,31)(H,24,25,28).
What are the key properties of 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).