1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

C17H20N4O4S — CID 2117250

IUPAC1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C17H20N4O4S/c1-20-16(22)10-9-15(19-20)17(23)18-13-5-7-14(8-6-13)26(24,25)21-11-3-2-4-12-21/h5-10H,2-4,11-12H2,1H3,(H,18,23)
InChIKeyLTTOPVHIFVAJMF-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.21
Rot. Bonds4

About 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (PubChem CID 2117250) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
PubChem CID2117250
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C17H20N4O4S/c1-20-16(22)10-9-15(19-20)17(23)18-13-5-7-14(8-6-13)26(24,25)21-11-3-2-4-12-21/h5-10H,2-4,11-12H2,1H3,(H,18,23)
InChIKeyLTTOPVHIFVAJMF-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (CID 2117250) is 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The InChIKey is LTTOPVHIFVAJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-20-16(22)10-9-15(19-20)17(23)18-13-5-7-14(8-6-13)26(24,25)21-11-3-2-4-12-21/h5-10H,2-4,11-12H2,1H3,(H,18,23).
What are the key properties of 1-methyl-6-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(4-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-(4-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 2117250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).