3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide

C19H21N3O4S — CID 109106512

IUPAC3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCN(C(=O)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-2-22(17-6-4-3-5-7-17)19(24)15-10-14(11-20-12-15)18(23)21-16-8-9-27(25,26)13-16/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,23)
InChIKeyVTLWGTAGLFJPOQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.67
Rot. Bonds5

About 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide

3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide (PubChem CID 109106512) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
PubChem CID109106512
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
SMILESCCN(C(=O)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1)c1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-2-22(17-6-4-3-5-7-17)19(24)15-10-14(11-20-12-15)18(23)21-16-8-9-27(25,26)13-16/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,23)
InChIKeyVTLWGTAGLFJPOQ-UHFFFAOYSA-N
XLogP1.67
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-cycloheptyl-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107040
3-N-[2-(dimethylamino)ethyl]-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109104054
N-(1,1-dioxothiolan-3-yl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109237168
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109237184
1-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109055580
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208
1-N-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977960
6-[(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109122781

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide (CID 109106512) is 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide is CCN(C(=O)c1cncc(C(=O)NC2CCS(=O)(=O)C2)c1)c1ccccc1.
What is the InChIKey of 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
The InChIKey is VTLWGTAGLFJPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-2-22(17-6-4-3-5-7-17)19(24)15-10-14(11-20-12-15)18(23)21-16-8-9-27(25,26)13-16/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,23).
What are the key properties of 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide?
3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,1-dioxothiolan-3-yl)-5-N-ethyl-5-N-phenylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).