2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide

C13H19N3O — CID 54949890

IUPAC2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCNc1ccccc1C(=O)NC1CCN(C)C1
InChIInChI=1S/C13H19N3O/c1-14-12-6-4-3-5-11(12)13(17)15-10-7-8-16(2)9-10/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyXZFTZBYKJVBWED-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds3

About 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide

2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 54949890) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID54949890
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCNc1ccccc1C(=O)NC1CCN(C)C1
InChIInChI=1S/C13H19N3O/c1-14-12-6-4-3-5-11(12)13(17)15-10-7-8-16(2)9-10/h3-6,10,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyXZFTZBYKJVBWED-UHFFFAOYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide (CID 54949890) is 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide is CNc1ccccc1C(=O)NC1CCN(C)C1.
What is the InChIKey of 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is XZFTZBYKJVBWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-12-6-4-3-5-11(12)13(17)15-10-7-8-16(2)9-10/h3-6,10,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide?
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 54949890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).