5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C15H14N2O3S — CID 124701017

IUPAC5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cn1
InChIInChI=1S/C15H14N2O3S/c18-14(10-3-4-12(15(19)20)16-8-10)17-6-1-2-13(17)11-5-7-21-9-11/h3-5,7-9,13H,1-2,6H2,(H,19,20)/t13-/m1/s1
InChIKeyBUPQCSIUOAZZTD-CYBMUJFWSA-N
MW302.36 g/mol
LogP2.82
Rot. Bonds3

About 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 124701017) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID124701017
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cn1
InChIInChI=1S/C15H14N2O3S/c18-14(10-3-4-12(15(19)20)16-8-10)17-6-1-2-13(17)11-5-7-21-9-11/h3-5,7-9,13H,1-2,6H2,(H,19,20)/t13-/m1/s1
InChIKeyBUPQCSIUOAZZTD-CYBMUJFWSA-N
XLogP2.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid 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

phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949242
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948024

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 124701017) is 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cn1.
What is the InChIKey of 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is BUPQCSIUOAZZTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-14(10-3-4-12(15(19)20)16-8-10)17-6-1-2-13(17)11-5-7-21-9-11/h3-5,7-9,13H,1-2,6H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124701017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).