6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide

C12H15N3O3S — CID 74243181

IUPAC6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2C=CS(=O)(=O)C2)cn1
InChIInChI=1S/C12H15N3O3S/c1-15(2)11-4-3-9(7-13-11)12(16)14-10-5-6-19(17,18)8-10/h3-7,10H,8H2,1-2H3,(H,14,16)
InChIKeyOGCJTROPOZRXIO-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.19
Rot. Bonds3

About 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide

6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide (PubChem CID 74243181) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
PubChem CID74243181
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2C=CS(=O)(=O)C2)cn1
InChIInChI=1S/C12H15N3O3S/c1-15(2)11-4-3-9(7-13-11)12(16)14-10-5-6-19(17,18)8-10/h3-7,10H,8H2,1-2H3,(H,14,16)
InChIKeyOGCJTROPOZRXIO-UHFFFAOYSA-N
XLogP0.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide (CID 74243181) is 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NC2C=CS(=O)(=O)C2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide?
The InChIKey is OGCJTROPOZRXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-15(2)11-4-3-9(7-13-11)12(16)14-10-5-6-19(17,18)8-10/h3-7,10H,8H2,1-2H3,(H,14,16).
What are the key properties of 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide?
6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 74243181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).