6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide

C16H18N4O4S — CID 109122803

IUPAC6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C16H18N4O4S/c1-24-14-5-3-2-4-12(14)18-16(21)13-6-7-15(20-19-13)17-11-8-9-25(22,23)10-11/h2-7,11H,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyPSBOSBRLEJTNDY-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.34
Rot. Bonds5

About 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide

6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109122803) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
PubChem CID109122803
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C16H18N4O4S/c1-24-14-5-3-2-4-12(14)18-16(21)13-6-7-15(20-19-13)17-11-8-9-25(22,23)10-11/h2-7,11H,8-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyPSBOSBRLEJTNDY-UHFFFAOYSA-N
XLogP1.34
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 113042946
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
1-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149247
6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109112205
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide (CID 109122803) is 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide is COc1ccccc1NC(=O)c1ccc(NC2CCS(=O)(=O)C2)nn1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is PSBOSBRLEJTNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-24-14-5-3-2-4-12(14)18-16(21)13-6-7-15(20-19-13)17-11-8-9-25(22,23)10-11/h2-7,11H,8-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide?
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).