N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C14H24N4O4S — CID 110823113

IUPACN-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C14H24N4O4S/c1-2-3-10-23(21,22)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17-16-12/h11H,2-10H2,1H3,(H,15,20)(H,17,19)
InChIKeyPQFBIMUFYRMRAY-UHFFFAOYSA-N
MW344.44 g/mol
LogP-0.04
Rot. Bonds6

About N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110823113) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110823113
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C14H24N4O4S/c1-2-3-10-23(21,22)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17-16-12/h11H,2-10H2,1H3,(H,15,20)(H,17,19)
InChIKeyPQFBIMUFYRMRAY-UHFFFAOYSA-N
XLogP-0.04
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110745998
N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108560252
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
3-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110810034

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110823113) is N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCCS(=O)(=O)N1CCC(NC(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PQFBIMUFYRMRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-2-3-10-23(21,22)18-8-6-11(7-9-18)15-14(20)12-4-5-13(19)17-16-12/h11H,2-10H2,1H3,(H,15,20)(H,17,19).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110823113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).