6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C15H18N4O4S — CID 3904448

IUPAC6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)=NN1
InChIInChI=1S/C15H18N4O4S/c20-14-7-6-13(17-18-14)15(21)16-11-4-3-5-12(10-11)24(22,23)19-8-1-2-9-19/h3-5,10H,1-2,6-9H2,(H,16,21)(H,18,20)
InChIKeyXCNOLIGGQJYJJF-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.68
Rot. Bonds4

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

6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3904448) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3904448
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Name6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)=NN1
InChIInChI=1S/C15H18N4O4S/c20-14-7-6-13(17-18-14)15(21)16-11-4-3-5-12(10-11)24(22,23)19-8-1-2-9-19/h3-5,10H,1-2,6-9H2,(H,16,21)(H,18,20)
InChIKeyXCNOLIGGQJYJJF-UHFFFAOYSA-N
XLogP0.68
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3904448) is 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)=NN1.
What is the InChIKey of 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is XCNOLIGGQJYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c20-14-7-6-13(17-18-14)15(21)16-11-4-3-5-12(10-11)24(22,23)19-8-1-2-9-19/h3-5,10H,1-2,6-9H2,(H,16,21)(H,18,20).
What are the key properties of 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3904448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).