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

C19H21N3O4S — CID 109088358

IUPAC4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)c(C)c1
InChIInChI=1S/C19H21N3O4S/c1-12-3-4-16(13(2)9-12)22-18(23)14-5-7-20-17(10-14)19(24)21-15-6-8-27(25,26)11-15/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNYXUKPLRDDEFJG-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.87
Rot. Bonds4

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

4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109088358) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109088358
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)c(C)c1
InChIInChI=1S/C19H21N3O4S/c1-12-3-4-16(13(2)9-12)22-18(23)14-5-7-20-17(10-14)19(24)21-15-6-8-27(25,26)11-15/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNYXUKPLRDDEFJG-UHFFFAOYSA-N
XLogP1.87
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide with MolForge

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(2,5-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)benzene-1,4-dicarboxamide
CID 109048143
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375
4-N-(4-cyanophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088380
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109098733
4-N-(4-chloro-2-methylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081597
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide (CID 109088358) is 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NC3CCS(=O)(=O)C3)c2)c(C)c1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is NYXUKPLRDDEFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-3-4-16(13(2)9-12)22-18(23)14-5-7-20-17(10-14)19(24)21-15-6-8-27(25,26)11-15/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide?
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).