N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide

C19H21N3OS — CID 86953269

IUPACN-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(C2CCCN2CCC(=O)Nc2cccc(C#N)c2)s1
InChIInChI=1S/C19H21N3OS/c1-14-7-8-18(24-14)17-6-3-10-22(17)11-9-19(23)21-16-5-2-4-15(12-16)13-20/h2,4-5,7-8,12,17H,3,6,9-11H2,1H3,(H,21,23)
InChIKeyDWLHQGQLBKTSAG-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.09
Rot. Bonds5

About N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide

N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 86953269) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID86953269
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(C2CCCN2CCC(=O)Nc2cccc(C#N)c2)s1
InChIInChI=1S/C19H21N3OS/c1-14-7-8-18(24-14)17-6-3-10-22(17)11-9-19(23)21-16-5-2-4-15(12-16)13-20/h2,4-5,7-8,12,17H,3,6,9-11H2,1H3,(H,21,23)
InChIKeyDWLHQGQLBKTSAG-UHFFFAOYSA-N
XLogP4.09
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
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N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953240
3-[2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
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CID 43187511
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
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N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
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N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
N-(3-cyanophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
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N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide (CID 86953269) is N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide is Cc1ccc(C2CCCN2CCC(=O)Nc2cccc(C#N)c2)s1.
What is the InChIKey of N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is DWLHQGQLBKTSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-7-8-18(24-14)17-6-3-10-22(17)11-9-19(23)21-16-5-2-4-15(12-16)13-20/h2,4-5,7-8,12,17H,3,6,9-11H2,1H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 86953269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).