4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide

C14H15N3O2S — CID 86804656

IUPAC4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)NCC(=O)c2cccs2)c1
InChIInChI=1S/C14H15N3O2S/c1-17(2)10-5-6-15-11(8-10)14(19)16-9-12(18)13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyHSTRLIIQXLIAHQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.82
Rot. Bonds5

About 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide

4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 86804656) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID86804656
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)NCC(=O)c2cccs2)c1
InChIInChI=1S/C14H15N3O2S/c1-17(2)10-5-6-15-11(8-10)14(19)16-9-12(18)13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,19)
InChIKeyHSTRLIIQXLIAHQ-UHFFFAOYSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-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 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 86804656) is 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide is CN(C)c1ccnc(C(=O)NCC(=O)c2cccs2)c1.
What is the InChIKey of 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is HSTRLIIQXLIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-17(2)10-5-6-15-11(8-10)14(19)16-9-12(18)13-4-3-7-20-13/h3-8H,9H2,1-2H3,(H,16,19).
What are the key properties of 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide?
4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 86804656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).