5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119450293

IUPAC5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)NC3CCNC3)CC2=O)c(C)c1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-11-6-12(2)17(13(3)7-11)21-10-14(8-16(21)22)18(23)20-15-4-5-19-9-15;/h6-7,14-15,19H,4-5,8-10H2,1-3H3,(H,20,23);1H
InChIKeyDJNXWQWYPBQFFP-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.86
Rot. Bonds3

About 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride

5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119450293) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119450293
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(N2CC(C(=O)NC3CCNC3)CC2=O)c(C)c1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-11-6-12(2)17(13(3)7-11)21-10-14(8-16(21)22)18(23)20-15-4-5-19-9-15;/h6-7,14-15,19H,4-5,8-10H2,1-3H3,(H,20,23);1H
InChIKeyDJNXWQWYPBQFFP-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpiperidin-3-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120577714
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056500
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119429326
4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119488557
5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450895
N-cyclooctyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152206
N-(3-acetamidophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186815

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119450293) is 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride is Cc1cc(C)c(N2CC(C(=O)NC3CCNC3)CC2=O)c(C)c1.Cl.
What is the InChIKey of 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DJNXWQWYPBQFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-11-6-12(2)17(13(3)7-11)21-10-14(8-16(21)22)18(23)20-15-4-5-19-9-15;/h6-7,14-15,19H,4-5,8-10H2,1-3H3,(H,20,23);1H.
What are the key properties of 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride?
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119450293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).