6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide

C17H20N4O3S — CID 109122781

IUPAC6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NC2CCS(=O)(=O)C2)nn1)c1ccccc1
InChIInChI=1S/C17H20N4O3S/c1-2-21(14-6-4-3-5-7-14)17(22)15-8-9-16(20-19-15)18-13-10-11-25(23,24)12-13/h3-9,13H,2,10-12H2,1H3,(H,18,20)
InChIKeyDDFSVRUTFATUPT-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.74
Rot. Bonds5

About 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide

6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109122781) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide
PubChem CID109122781
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NC2CCS(=O)(=O)C2)nn1)c1ccccc1
InChIInChI=1S/C17H20N4O3S/c1-2-21(14-6-4-3-5-7-14)17(22)15-8-9-16(20-19-15)18-13-10-11-25(23,24)12-13/h3-9,13H,2,10-12H2,1H3,(H,18,20)
InChIKeyDDFSVRUTFATUPT-UHFFFAOYSA-N
XLogP1.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109331325
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109106512
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109194030
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121378
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
1-N-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977960
1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-methyl-N-phenylpyrazole-4-carboxamide
CID 110383681
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide (CID 109122781) is 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(NC2CCS(=O)(=O)C2)nn1)c1ccccc1.
What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is DDFSVRUTFATUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-2-21(14-6-4-3-5-7-14)17(22)15-8-9-16(20-19-15)18-13-10-11-25(23,24)12-13/h3-9,13H,2,10-12H2,1H3,(H,18,20).
What are the key properties of 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).