N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide

C15H19N3O — CID 115644362

IUPACN-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
SMILESCC1CC(C)N(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O/c1-11-6-12(2)18(9-11)10-15(19)17-14-5-3-4-13(7-14)8-16/h3-5,7,11-12H,6,9-10H2,1-2H3,(H,17,19)
InChIKeyCUXZMYCILUJMMJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds3

About N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide

N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide (PubChem CID 115644362) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
PubChem CID115644362
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide
SMILESCC1CC(C)N(CC(=O)Nc2cccc(C#N)c2)C1
InChIInChI=1S/C15H19N3O/c1-11-6-12(2)18(9-11)10-15(19)17-14-5-3-4-13(7-14)8-16/h3-5,7,11-12H,6,9-10H2,1-2H3,(H,17,19)
InChIKeyCUXZMYCILUJMMJ-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327
N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide (CID 115644362) is N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide is CC1CC(C)N(CC(=O)Nc2cccc(C#N)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide?
The InChIKey is CUXZMYCILUJMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-12(2)18(9-11)10-15(19)17-14-5-3-4-13(7-14)8-16/h3-5,7,11-12H,6,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,4-dimethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 115644362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).