6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide

C18H19N3O4S — CID 109098728

IUPAC6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NC3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-5-7-13(8-6-12)19-17(22)15-3-2-4-16(21-15)18(23)20-14-9-10-26(24,25)11-14/h2-8,14H,9-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyOYDGKDXSNMECLH-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.56
Rot. Bonds4

About 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide

6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109098728) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109098728
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)NC3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-5-7-13(8-6-12)19-17(22)15-3-2-4-16(21-15)18(23)20-14-9-10-26(24,25)11-14/h2-8,14H,9-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyOYDGKDXSNMECLH-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

6-N-(1,1-dioxothiolan-3-yl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109098727
2-N-(2,5-dimethylphenyl)-6-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109098733
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109094612
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097820
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
6-N-cyclopropyl-2-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109093956
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
2-(3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109309228
6-N-(1,1-dioxothiolan-3-yl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097102

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide (CID 109098728) is 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)NC3CCS(=O)(=O)C3)n2)cc1.
What is the InChIKey of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is OYDGKDXSNMECLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-5-7-13(8-6-12)19-17(22)15-3-2-4-16(21-15)18(23)20-14-9-10-26(24,25)11-14/h2-8,14H,9-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide?
6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-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 6-N-(1,1-dioxothiolan-3-yl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).