3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide

C13H19N3O — CID 82989332

IUPAC3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCCC2C)c(N)c1
InChIInChI=1S/C13H19N3O/c1-9-4-3-7-16(9)12-6-5-10(8-11(12)14)13(17)15-2/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyXGTCXFJNYXVXAE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide

3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide (PubChem CID 82989332) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
PubChem CID82989332
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
SMILESCNC(=O)c1ccc(N2CCCC2C)c(N)c1
InChIInChI=1S/C13H19N3O/c1-9-4-3-7-16(9)12-6-5-10(8-11(12)14)13(17)15-2/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyXGTCXFJNYXVXAE-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-(2-methylpyrrolidin-1-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-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
3-amino-N-methyl-4-(3-methylmorpholin-4-yl)benzamide
CID 82989189
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
4-amino-N-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzamide
CID 79927793
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726
4-amino-3-[2-(hydroxymethyl)piperidin-1-yl]-N-methylbenzamide
CID 63357388
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
4-amino-N-methyl-3-(3-methylmorpholin-4-yl)benzamide
CID 55189122
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide (CID 82989332) is 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide is CNC(=O)c1ccc(N2CCCC2C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide?
The InChIKey is XGTCXFJNYXVXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-3-7-16(9)12-6-5-10(8-11(12)14)13(17)15-2/h5-6,8-9H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide?
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 82989332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).