2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C20H19ClN4O2S2 — CID 46084278

IUPAC2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2sccc2Cl)CC1
InChIInChI=1S/C20H19ClN4O2S2/c21-16-5-12-29-17(16)20(27)25-9-7-24(8-10-25)18-15(4-1-6-22-18)19(26)23-13-14-3-2-11-28-14/h1-6,11-12H,7-10,13H2,(H,23,26)
InChIKeyWAUGYJCQLIZAFJ-UHFFFAOYSA-N
MW446.99 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46084278) has the molecular formula C20H19ClN4O2S2 and a molecular weight of 446.99 g/mol. Its IUPAC name is 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46084278
Molecular FormulaC20H19ClN4O2S2
Molecular Weight446.99 g/mol
Exact Mass446.06
IUPAC Name2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2sccc2Cl)CC1
InChIInChI=1S/C20H19ClN4O2S2/c21-16-5-12-29-17(16)20(27)25-9-7-24(8-10-25)18-15(4-1-6-22-18)19(26)23-13-14-3-2-11-28-14/h1-6,11-12H,7-10,13H2,(H,23,26)
InChIKeyWAUGYJCQLIZAFJ-UHFFFAOYSA-N
XLogP3.75
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.99
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)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 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 46084278) is 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1N1CCN(C(=O)c2sccc2Cl)CC1.
What is the InChIKey of 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is WAUGYJCQLIZAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S2/c21-16-5-12-29-17(16)20(27)25-9-7-24(8-10-25)18-15(4-1-6-22-18)19(26)23-13-14-3-2-11-28-14/h1-6,11-12H,7-10,13H2,(H,23,26).
What are the key properties of 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 446.99 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorothiophene-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46084278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).