N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H20N4O2 — CID 113184948

IUPACN-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C22H20N4O2/c23-12-15-5-7-18(8-6-15)25-22(28)17-11-21(27)26(14-17)10-9-16-13-24-20-4-2-1-3-19(16)20/h1-8,13,17,24H,9-11,14H2,(H,25,28)
InChIKeyLIRPSBVNLQZROA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.07
Rot. Bonds5

About N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113184948) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113184948
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C22H20N4O2/c23-12-15-5-7-18(8-6-15)25-22(28)17-11-21(27)26(14-17)10-9-16-13-24-20-4-2-1-3-19(16)20/h1-8,13,17,24H,9-11,14H2,(H,25,28)
InChIKeyLIRPSBVNLQZROA-UHFFFAOYSA-N
XLogP3.07
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113184948) is N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LIRPSBVNLQZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-12-15-5-7-18(8-6-15)25-22(28)17-11-21(27)26(14-17)10-9-16-13-24-20-4-2-1-3-19(16)20/h1-8,13,17,24H,9-11,14H2,(H,25,28).
What are the key properties of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).