N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H19N3O2 — CID 42946600

IUPACN-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)c1
InChIInChI=1S/C20H19N3O2/c1-2-14-5-4-8-18(10-14)23-13-16(11-19(23)24)20(25)22-17-7-3-6-15(9-17)12-21/h3-10,16H,2,11,13H2,1H3,(H,22,25)
InChIKeyHPYGMOLBZFSWLV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.11
Rot. Bonds4

About N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42946600) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42946600
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)c1
InChIInChI=1S/C20H19N3O2/c1-2-14-5-4-8-18(10-14)23-13-16(11-19(23)24)20(25)22-17-7-3-6-15(9-17)12-21/h3-10,16H,2,11,13H2,1H3,(H,22,25)
InChIKeyHPYGMOLBZFSWLV-UHFFFAOYSA-N
XLogP3.11
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
ethyl 4-[4-[(3-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190636
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191931
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424
1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191969
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946595
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42946600) is N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(N2CC(C(=O)Nc3cccc(C#N)c3)CC2=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HPYGMOLBZFSWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-14-5-4-8-18(10-14)23-13-16(11-19(23)24)20(25)22-17-7-3-6-15(9-17)12-21/h3-10,16H,2,11,13H2,1H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42946600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).