5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide

C12H15N3O4S — CID 47460685

IUPAC5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(N)=O)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H15N3O4S/c1-15(9-4-5-20(18,19)7-9)12(17)8-2-3-10(11(13)16)14-6-8/h2-3,6,9H,4-5,7H2,1H3,(H2,13,16)
InChIKeyGSVDXAFBJKWNAJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.56
Rot. Bonds3

About 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide

5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide (PubChem CID 47460685) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
PubChem CID47460685
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
SMILESCN(C(=O)c1ccc(C(N)=O)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H15N3O4S/c1-15(9-4-5-20(18,19)7-9)12(17)8-2-3-10(11(13)16)14-6-8/h2-3,6,9H,4-5,7H2,1H3,(H2,13,16)
InChIKeyGSVDXAFBJKWNAJ-UHFFFAOYSA-N
XLogP-0.56
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
6-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-N-methylpyridazine-3-carboxamide
CID 113200172
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 124960685
N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109159498
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249417
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109159530

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide (CID 47460685) is 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide is CN(C(=O)c1ccc(C(N)=O)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide?
The InChIKey is GSVDXAFBJKWNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-15(9-4-5-20(18,19)7-9)12(17)8-2-3-10(11(13)16)14-6-8/h2-3,6,9H,4-5,7H2,1H3,(H2,13,16).
What are the key properties of 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide?
5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 47460685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).