6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide

C13H20N4O4S — CID 46456038

IUPAC6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H20N4O4S/c1-2-9-22(20,21)17-7-5-10(6-8-17)14-13(19)11-3-4-12(18)16-15-11/h3-4,10H,2,5-9H2,1H3,(H,14,19)(H,16,18)
InChIKeyJTHPOFIGRWPIFY-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.30
Rot. Bonds5

About 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide

6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide (PubChem CID 46456038) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
PubChem CID46456038
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H20N4O4S/c1-2-9-22(20,21)17-7-5-10(6-8-17)14-13(19)11-3-4-12(18)16-15-11/h3-4,10H,2,5-9H2,1H3,(H,14,19)(H,16,18)
InChIKeyJTHPOFIGRWPIFY-UHFFFAOYSA-N
XLogP-0.30
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110804798
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561707
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561709
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561718
N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561738
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
N-[1-(2-chloropropanoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561735
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide (CID 46456038) is 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
The InChIKey is JTHPOFIGRWPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-2-9-22(20,21)17-7-5-10(6-8-17)14-13(19)11-3-4-12(18)16-15-11/h3-4,10H,2,5-9H2,1H3,(H,14,19)(H,16,18).
What are the key properties of 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46456038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).