2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide

C19H21N3O4S — CID 109098733

IUPAC2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)NC3CCS(=O)(=O)C3)n2)c1
InChIInChI=1S/C19H21N3O4S/c1-12-6-7-13(2)17(10-12)22-19(24)16-5-3-4-15(21-16)18(23)20-14-8-9-27(25,26)11-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyVIBFIXQFABBBSN-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.87
Rot. Bonds4

About 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide

2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide (PubChem CID 109098733) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
PubChem CID109098733
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)NC3CCS(=O)(=O)C3)n2)c1
InChIInChI=1S/C19H21N3O4S/c1-12-6-7-13(2)17(10-12)22-19(24)16-5-3-4-15(21-16)18(23)20-14-8-9-27(25,26)11-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyVIBFIXQFABBBSN-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

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Related Compounds

6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098728
4-N-(2,5-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)benzene-1,4-dicarboxamide
CID 109048143
N-(2,5-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]-2-methylpyrimidine-4-carboxamide
CID 109372398
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
N-(2,5-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109351743
1-N-(2,5-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138199
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260870
4-N-(2,4-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088358
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309308
6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide (CID 109098733) is 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide is Cc1ccc(C)c(NC(=O)c2cccc(C(=O)NC3CCS(=O)(=O)C3)n2)c1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
The InChIKey is VIBFIXQFABBBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-6-7-13(2)17(10-12)22-19(24)16-5-3-4-15(21-16)18(23)20-14-8-9-27(25,26)11-14/h3-7,10,14H,8-9,11H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide?
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-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 2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).