3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C13H17N3O2 — CID 114163964

IUPAC3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cc(N)cc(C(=O)NC2CCN(C)C2=O)c1
InChIInChI=1S/C13H17N3O2/c1-8-5-9(7-10(14)6-8)12(17)15-11-3-4-16(2)13(11)18/h5-7,11H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyJJLJNQZCXDZUDO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.54
Rot. Bonds2

About 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 114163964) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID114163964
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCc1cc(N)cc(C(=O)NC2CCN(C)C2=O)c1
InChIInChI=1S/C13H17N3O2/c1-8-5-9(7-10(14)6-8)12(17)15-11-3-4-16(2)13(11)18/h5-7,11H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyJJLJNQZCXDZUDO-UHFFFAOYSA-N
XLogP0.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide 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

3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106258823
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
2-chloro-6-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 104952562
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257175
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106249461
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
5-iodo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 75390408
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
2-amino-4-fluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 106249453
2-chloro-6-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106253688

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 114163964) is 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is Cc1cc(N)cc(C(=O)NC2CCN(C)C2=O)c1.
What is the InChIKey of 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is JJLJNQZCXDZUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-5-9(7-10(14)6-8)12(17)15-11-3-4-16(2)13(11)18/h5-7,11H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 114163964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).