2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide

C12H17BrN2O — CID 116816951

IUPAC2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(C)(C)Br
InChIInChI=1S/C12H17BrN2O/c1-12(2,13)11(16)15(3)9-7-10-6-4-5-8-14-10/h4-6,8H,7,9H2,1-3H3
InChIKeyOBWZPEZOABMYSX-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.26
Rot. Bonds4

About 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide

2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 116816951) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID116816951
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)C(C)(C)Br
InChIInChI=1S/C12H17BrN2O/c1-12(2,13)11(16)15(3)9-7-10-6-4-5-8-14-10/h4-6,8H,7,9H2,1-3H3
InChIKeyOBWZPEZOABMYSX-UHFFFAOYSA-N
XLogP2.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide 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-3-hydroxyimino-N,2,2-trimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76919338
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
6-methoxy-N,2,2,4,4-pentamethyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172521
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
3,3-dimethyl-2-[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]butanoic acid
CID 61196298
methyl(2-pyridin-2-ylethyl)carbamodithioic acid
CID 88510653
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide (CID 116816951) is 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is OBWZPEZOABMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,13)11(16)15(3)9-7-10-6-4-5-8-14-10/h4-6,8H,7,9H2,1-3H3.
What are the key properties of 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide?
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 285.18 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 116816951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).