N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide

C11H13N3O2 — CID 81470239

IUPACN-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNc1ccc(NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C11H13N3O2/c12-8-1-3-9(4-2-8)14-11(16)7-5-10(15)13-6-7/h1-4,7H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyUIPJVMIHPWYCBN-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.34
Rot. Bonds2

About N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 81470239) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID81470239
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNc1ccc(NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C11H13N3O2/c12-8-1-3-9(4-2-8)14-11(16)7-5-10(15)13-6-7/h1-4,7H,5-6,12H2,(H,13,15)(H,14,16)
InChIKeyUIPJVMIHPWYCBN-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-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-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982469
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide (CID 81470239) is N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide is Nc1ccc(NC(=O)C2CNC(=O)C2)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UIPJVMIHPWYCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-8-1-3-9(4-2-8)14-11(16)7-5-10(15)13-6-7/h1-4,7H,5-6,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81470239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).