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'}

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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).