N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C13H17N3O2 — CID 78982179

IUPACN-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)11-5-3-10(4-6-11)15-13(18)9-7-12(17)14-8-9/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyGYXSLTPUFPUZPW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.83
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982179) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982179
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)11-5-3-10(4-6-11)15-13(18)9-7-12(17)14-8-9/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyGYXSLTPUFPUZPW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982179) is N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1ccc(NC(=O)C2CNC(=O)C2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GYXSLTPUFPUZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)11-5-3-10(4-6-11)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-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[4-(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-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).