5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

C11H11N3O3S — CID 63717841

IUPAC5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C11H11N3O3S/c12-5-8-1-2-10(13-6-8)11(15)14-9-3-4-18(16,17)7-9/h1-2,6,9H,3-4,7H2,(H,14,15)
InChIKeyZLORFJHQYHQCCN-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.13
Rot. Bonds2

About 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (PubChem CID 63717841) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
PubChem CID63717841
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C11H11N3O3S/c12-5-8-1-2-10(13-6-8)11(15)14-9-3-4-18(16,17)7-9/h1-2,6,9H,3-4,7H2,(H,14,15)
InChIKeyZLORFJHQYHQCCN-UHFFFAOYSA-N
XLogP-0.13
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (CID 63717841) is 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)nc1.
What is the InChIKey of 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is ZLORFJHQYHQCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c12-5-8-1-2-10(13-6-8)11(15)14-9-3-4-18(16,17)7-9/h1-2,6,9H,3-4,7H2,(H,14,15).
What are the key properties of 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?
5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 265.29 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 63717841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).