2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

C15H17N3OS — CID 136577377

IUPAC2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCCC1c1cccnc1
InChIInChI=1S/C15H17N3OS/c19-15(17-9-12-5-8-20-11-12)18-7-2-4-14(18)13-3-1-6-16-10-13/h1,3,5-6,8,10-11,14H,2,4,7,9H2,(H,17,19)
InChIKeySYQIVYCDQRHERV-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.19
Rot. Bonds3

About 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136577377) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136577377
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCCC1c1cccnc1
InChIInChI=1S/C15H17N3OS/c19-15(17-9-12-5-8-20-11-12)18-7-2-4-14(18)13-3-1-6-16-10-13/h1,3,5-6,8,10-11,14H,2,4,7,9H2,(H,17,19)
InChIKeySYQIVYCDQRHERV-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
N-[(2-methoxy-3-pyridinyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 51084353
(2S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94096719
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[(2R)-2-pyridin-3-ylpiperidin-1-yl]-(5-thiophen-3-ylpyrazolidin-3-yl)methanone
CID 133143529
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95909147
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (CID 136577377) is 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccsc1)N1CCCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is SYQIVYCDQRHERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(17-9-12-5-8-20-11-12)18-7-2-4-14(18)13-3-1-6-16-10-13/h1,3,5-6,8,10-11,14H,2,4,7,9H2,(H,17,19).
What are the key properties of 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136577377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).