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

C18H22N4O4S — CID 4573186

IUPAC1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N4O4S/c1-13-6-7-14(19-18(24)15-8-9-17(23)21(2)20-15)12-16(13)27(25,26)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24)
InChIKeyBBGNMOOVDHZURG-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.52
Rot. Bonds4

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

1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 4573186) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID4573186
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H22N4O4S/c1-13-6-7-14(19-18(24)15-8-9-17(23)21(2)20-15)12-16(13)27(25,26)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24)
InChIKeyBBGNMOOVDHZURG-UHFFFAOYSA-N
XLogP1.52
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide (CID 4573186) is 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BBGNMOOVDHZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-13-6-7-14(19-18(24)15-8-9-17(23)21(2)20-15)12-16(13)27(25,26)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24).
What are the key properties of 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 4573186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).