1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

C17H20N4O4S — CID 3984924

IUPAC1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O
InChIInChI=1S/C17H20N4O4S/c1-20-16(22)9-8-15(19-20)17(23)18-13-6-5-7-14(12-13)26(24,25)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,18,23)
InChIKeyWIZQUZDJLFTXPL-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.21
Rot. Bonds4

About 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (PubChem CID 3984924) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
PubChem CID3984924
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O
InChIInChI=1S/C17H20N4O4S/c1-20-16(22)9-8-15(19-20)17(23)18-13-6-5-7-14(12-13)26(24,25)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,18,23)
InChIKeyWIZQUZDJLFTXPL-UHFFFAOYSA-N
XLogP1.21
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 3301554
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3960198
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9269172
N-(4-((4-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperazin-1-yl)sulfonyl)phenyl)acetamide
CID 3161661
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16232379
1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 2082174
1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 2117250
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 4324298
6-oxo-1-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 4378980
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4422572
N-[3-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 24239535
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31009852

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (CID 3984924) is 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The InChIKey is WIZQUZDJLFTXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-20-16(22)9-8-15(19-20)17(23)18-13-6-5-7-14(12-13)26(24,25)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,18,23).
What are the key properties of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 3984924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).