2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

C18H19N3O4S — CID 109088353

IUPAC2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H19N3O4S/c1-12-3-2-4-14(9-12)20-17(22)13-5-7-19-16(10-13)18(23)21-15-6-8-26(24,25)11-15/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGWHDMTIDHNKZIZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.56
Rot. Bonds4

About 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide

2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109088353) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109088353
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H19N3O4S/c1-12-3-2-4-14(9-12)20-17(22)13-5-7-19-16(10-13)18(23)21-15-6-8-26(24,25)11-15/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGWHDMTIDHNKZIZ-UHFFFAOYSA-N
XLogP1.56
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088358
4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088380
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
1-(1,1-dioxothiolan-3-yl)-3-(3-methylphenyl)thiourea
CID 3752369
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-methylphenyl)benzamide
CID 95741050

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide (CID 109088353) is 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is Cc1cccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is GWHDMTIDHNKZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-3-2-4-14(9-12)20-17(22)13-5-7-19-16(10-13)18(23)21-15-6-8-26(24,25)11-15/h2-5,7,9-10,15H,6,8,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide?
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).