N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide

C15H19N3O — CID 115688555

IUPACN-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O/c1-2-12-6-7-18(10-12)11-15(19)17-14-5-3-4-13(8-14)9-16/h3-5,8,12H,2,6-7,10-11H2,1H3,(H,17,19)
InChIKeyJZSQCIMFJJTBSX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds4

About N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide

N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide (PubChem CID 115688555) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
PubChem CID115688555
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O/c1-2-12-6-7-18(10-12)11-15(19)17-14-5-3-4-13(8-14)9-16/h3-5,8,12H,2,6-7,10-11H2,1H3,(H,17,19)
InChIKeyJZSQCIMFJJTBSX-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43176765

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide (CID 115688555) is N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide is CCC1CCN(CC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
The InChIKey is JZSQCIMFJJTBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-12-6-7-18(10-12)11-15(19)17-14-5-3-4-13(8-14)9-16/h3-5,8,12H,2,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 115688555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).