3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

C17H21N3OS — CID 90621291

IUPAC3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESCc1ccsc1CCC(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C17H21N3OS/c1-13-8-11-22-15(13)5-6-17(21)19-14-7-10-20(12-14)16-4-2-3-9-18-16/h2-4,8-9,11,14H,5-7,10,12H2,1H3,(H,19,21)
InChIKeyZRFNGJMLXYHYAQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.78
Rot. Bonds5

About 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide

3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (PubChem CID 90621291) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
PubChem CID90621291
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
SMILESCc1ccsc1CCC(=O)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C17H21N3OS/c1-13-8-11-22-15(13)5-6-17(21)19-14-7-10-20(12-14)16-4-2-3-9-18-16/h2-4,8-9,11,14H,5-7,10,12H2,1H3,(H,19,21)
InChIKeyZRFNGJMLXYHYAQ-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-3-thiophen-2-ylpropanamide
CID 125013076
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
3-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621285
3-(2-methoxynaphthalen-1-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621287
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
3-(3-chloro-4-fluorophenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]propanamide
CID 99875625
3-hydroxy-3-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)butanamide
CID 110026123
6-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)hexanamide
CID 90621313
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide (CID 90621291) is 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is Cc1ccsc1CCC(=O)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
The InChIKey is ZRFNGJMLXYHYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-8-11-22-15(13)5-6-17(21)19-14-7-10-20(12-14)16-4-2-3-9-18-16/h2-4,8-9,11,14H,5-7,10,12H2,1H3,(H,19,21).
What are the key properties of 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide?
3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 90621291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).