3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide

C13H12BrN3O — CID 106934244

IUPAC3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1cccc(N)c1Br)c1ccncc1
InChIInChI=1S/C13H12BrN3O/c1-17(9-5-7-16-8-6-9)13(18)10-3-2-4-11(15)12(10)14/h2-8H,15H2,1H3
InChIKeyJUSIMTBOOLLEQG-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide

3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide (PubChem CID 106934244) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
PubChem CID106934244
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
SMILESCN(C(=O)c1cccc(N)c1Br)c1ccncc1
InChIInChI=1S/C13H12BrN3O/c1-17(9-5-7-16-8-6-9)13(18)10-3-2-4-11(15)12(10)14/h2-8H,15H2,1H3
InChIKeyJUSIMTBOOLLEQG-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide 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-N-methyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 106934951
2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
CID 106934261
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198
2-amino-N-methyl-5-nitro-N-pyridin-4-ylbenzamide
CID 106937177
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
2-(ethylamino)-N-methyl-N-pyridin-4-ylbenzamide
CID 106936402
6-[methyl(pyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106936576
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
3-amino-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105069166
3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 113367038

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide (CID 106934244) is 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide is CN(C(=O)c1cccc(N)c1Br)c1ccncc1.
What is the InChIKey of 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is JUSIMTBOOLLEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-17(9-5-7-16-8-6-9)13(18)10-3-2-4-11(15)12(10)14/h2-8H,15H2,1H3.
What are the key properties of 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide?
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 106934244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).