N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C13H17N3O2 — CID 78981788

IUPACN-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-16(2)11-6-4-3-5-10(11)15-13(18)9-7-12(17)14-8-9/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKEZZQXNRXINQOD-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.83
Rot. Bonds3

About N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981788) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78981788
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-16(2)11-6-4-3-5-10(11)15-13(18)9-7-12(17)14-8-9/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKEZZQXNRXINQOD-UHFFFAOYSA-N
XLogP0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide 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-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 78982003
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxamide
CID 78978988
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982441
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982597
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78981788) is N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1ccccc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KEZZQXNRXINQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)11-6-4-3-5-10(11)15-13(18)9-7-12(17)14-8-9/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).