6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide

C19H24N4O4S — CID 17476208

IUPAC6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O
InChIInChI=1S/C19H24N4O4S/c1-2-11-23-18(24)10-9-17(21-23)19(25)20-15-7-6-8-16(14-15)28(26,27)22-12-4-3-5-13-22/h6-10,14H,2-5,11-13H2,1H3,(H,20,25)
InChIKeyCLGDJIUUZNCCEP-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.08
Rot. Bonds6

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

6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide (PubChem CID 17476208) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide
PubChem CID17476208
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O
InChIInChI=1S/C19H24N4O4S/c1-2-11-23-18(24)10-9-17(21-23)19(25)20-15-7-6-8-16(14-15)28(26,27)22-12-4-3-5-13-22/h6-10,14H,2-5,11-13H2,1H3,(H,20,25)
InChIKeyCLGDJIUUZNCCEP-UHFFFAOYSA-N
XLogP2.08
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.08
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 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide (CID 17476208) is 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1=O.
What is the InChIKey of 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide?
The InChIKey is CLGDJIUUZNCCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-2-11-23-18(24)10-9-17(21-23)19(25)20-15-7-6-8-16(14-15)28(26,27)22-12-4-3-5-13-22/h6-10,14H,2-5,11-13H2,1H3,(H,20,25).
What are the key properties of 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide?
6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 17476208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).