N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide

C17H23N3O — CID 115667757

IUPACN-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
SMILESCCCC1CCN(CCC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O/c1-2-4-14-7-9-20(13-14)10-8-17(21)19-16-6-3-5-15(11-16)12-18/h3,5-6,11,14H,2,4,7-10,13H2,1H3,(H,19,21)
InChIKeyJUJMIWBGSAHBAU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds6

About N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide

N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide (PubChem CID 115667757) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
PubChem CID115667757
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
SMILESCCCC1CCN(CCC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C17H23N3O/c1-2-4-14-7-9-20(13-14)10-8-17(21)19-16-6-3-5-15(11-16)12-18/h3,5-6,11,14H,2,4,7-10,13H2,1H3,(H,19,21)
InChIKeyJUJMIWBGSAHBAU-UHFFFAOYSA-N
XLogP3.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(3-cyanophenyl)-3-(2-ethylthiomorpholin-4-yl)propanamide
CID 115666984
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(3-cyanophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28745017
N-(3-cyanophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 80702946
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide (CID 115667757) is N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide is CCCC1CCN(CCC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide?
The InChIKey is JUJMIWBGSAHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-4-14-7-9-20(13-14)10-8-17(21)19-16-6-3-5-15(11-16)12-18/h3,5-6,11,14H,2,4,7-10,13H2,1H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide?
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 115667757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).