1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide

C17H22N4O4S — CID 17420034

IUPAC1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCC1=O
InChIInChI=1S/C17H22N4O4S/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/h5-7,12H,2-4,8-11H2,1H3,(H,18,23)
InChIKeyLOPLCFURDWQYJL-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.41
Rot. Bonds4

About 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 17420034) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID17420034
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCC1=O
InChIInChI=1S/C17H22N4O4S/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/h5-7,12H,2-4,8-11H2,1H3,(H,18,23)
InChIKeyLOPLCFURDWQYJL-UHFFFAOYSA-N
XLogP1.41
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-(2,5-dimethylphenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16277711
N-[2-(dimethylamino)-5-(piperidin-1-ylsulfonyl)phenyl]-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 16457900
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3905718
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
6-oxo-1-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 4378980
N-(2-methyl-5-(piperidin-1-ylsulfonyl)phenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 16251479
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 16323780
N-[5-(diethylsulfamoyl)-2-(pyrrolidin-1-yl)phenyl]-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 16348103

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide (CID 17420034) is 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is LOPLCFURDWQYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/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/h5-7,12H,2-4,8-11H2,1H3,(H,18,23).
What are the key properties of 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 17420034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).