3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide

C15H16N4O2S — CID 75423578

IUPAC3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCC1CC(c2ccsc2)CN1C(=O)c1nccnc1C(N)=O
InChIInChI=1S/C15H16N4O2S/c1-9-6-11(10-2-5-22-8-10)7-19(9)15(21)13-12(14(16)20)17-3-4-18-13/h2-5,8-9,11H,6-7H2,1H3,(H2,16,20)
InChIKeyIXHLFTJUWDLORU-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide

3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide (PubChem CID 75423578) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide
PubChem CID75423578
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCC1CC(c2ccsc2)CN1C(=O)c1nccnc1C(N)=O
InChIInChI=1S/C15H16N4O2S/c1-9-6-11(10-2-5-22-8-10)7-19(9)15(21)13-12(14(16)20)17-3-4-18-13/h2-5,8-9,11H,6-7H2,1H3,(H2,16,20)
InChIKeyIXHLFTJUWDLORU-UHFFFAOYSA-N
XLogP1.66
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-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 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide (CID 75423578) is 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide is CC1CC(c2ccsc2)CN1C(=O)c1nccnc1C(N)=O.
What is the InChIKey of 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide?
The InChIKey is IXHLFTJUWDLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-6-11(10-2-5-22-8-10)7-19(9)15(21)13-12(14(16)20)17-3-4-18-13/h2-5,8-9,11H,6-7H2,1H3,(H2,16,20).
What are the key properties of 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide?
3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-thiophen-3-ylpyrrolidine-1-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 75423578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).