2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide

C11H15BrN2O — CID 82110489

IUPAC2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)(Br)C(=O)NCCc1ccncc1
InChIInChI=1S/C11H15BrN2O/c1-11(2,12)10(15)14-8-5-9-3-6-13-7-4-9/h3-4,6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeyIBMYXXIMBMYWSG-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.91
Rot. Bonds4

About 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide

2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 82110489) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID82110489
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)(Br)C(=O)NCCc1ccncc1
InChIInChI=1S/C11H15BrN2O/c1-11(2,12)10(15)14-8-5-9-3-6-13-7-4-9/h3-4,6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeyIBMYXXIMBMYWSG-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
CID 129259489
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62821295
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 66001214
2-[ethyl(2-pyridin-4-ylethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821296

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 82110489) is 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide is CC(C)(Br)C(=O)NCCc1ccncc1.
What is the InChIKey of 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is IBMYXXIMBMYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(2,12)10(15)14-8-5-9-3-6-13-7-4-9/h3-4,6-7H,5,8H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide?
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 82110489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).