2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide

C15H16N4O2S — CID 118740026

IUPAC2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C15H16N4O2S/c16-14(21)15(12-9-17-4-5-18-12)3-1-6-19(15)13(20)8-11-2-7-22-10-11/h2,4-5,7,9-10H,1,3,6,8H2,(H2,16,21)
InChIKeyDOMARFRXWXVRRL-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.08
Rot. Bonds4

About 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide

2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 118740026) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID118740026
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1C(=O)Cc1ccsc1
InChIInChI=1S/C15H16N4O2S/c16-14(21)15(12-9-17-4-5-18-12)3-1-6-19(15)13(20)8-11-2-7-22-10-11/h2,4-5,7,9-10H,1,3,6,8H2,(H2,16,21)
InChIKeyDOMARFRXWXVRRL-UHFFFAOYSA-N
XLogP1.08
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-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

Related Compounds

(2R)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941438
(2S)-1-[2-(2-fluorophenyl)acetyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124941437
(2R)-1-(3-phenylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124948573
(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124947122
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 102604390
(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124944335
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 110098709
(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125011653
1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
CID 99841411
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide (CID 118740026) is 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1C(=O)Cc1ccsc1.
What is the InChIKey of 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is DOMARFRXWXVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-14(21)15(12-9-17-4-5-18-12)3-1-6-19(15)13(20)8-11-2-7-22-10-11/h2,4-5,7,9-10H,1,3,6,8H2,(H2,16,21).
What are the key properties of 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide?
2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118740026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).