N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C22H17N3O2 — CID 42999486

IUPACN-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C22H17N3O2/c23-13-15-8-10-18(11-9-15)24-22(27)17-12-21(26)25(14-17)20-7-3-5-16-4-1-2-6-19(16)20/h1-11,17H,12,14H2,(H,24,27)
InChIKeySUKZATFJXWBNKZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.70
Rot. Bonds3

About N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42999486) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID42999486
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C22H17N3O2/c23-13-15-8-10-18(11-9-15)24-22(27)17-12-21(26)25(14-17)20-7-3-5-16-4-1-2-6-19(16)20/h1-11,17H,12,14H2,(H,24,27)
InChIKeySUKZATFJXWBNKZ-UHFFFAOYSA-N
XLogP3.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190622
N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51157698
(3R)-1-naphthalen-1-yl-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 51866733
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(4-cyanophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186937
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-1-naphthalen-1-yl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 26817291
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404023

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 42999486) is N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SUKZATFJXWBNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-13-15-8-10-18(11-9-15)24-22(27)17-12-21(26)25(14-17)20-7-3-5-16-4-1-2-6-19(16)20/h1-11,17H,12,14H2,(H,24,27).
What are the key properties of N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42999486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).