2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide

C11H15BrN2O — CID 82110375

IUPAC2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccncc1
InChIInChI=1S/C11H15BrN2O/c1-8(9-4-6-13-7-5-9)14-10(15)11(2,3)12/h4-8H,1-3H3,(H,14,15)
InChIKeyIOJVGLKQPMMTKB-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.43
Rot. Bonds3

About 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide

2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide (PubChem CID 82110375) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
PubChem CID82110375
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccncc1
InChIInChI=1S/C11H15BrN2O/c1-8(9-4-6-13-7-5-9)14-10(15)11(2,3)12/h4-8H,1-3H3,(H,14,15)
InChIKeyIOJVGLKQPMMTKB-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.43
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

2-methyl-2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409982
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592
2-amino-3,3-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 76893776
2-carbamothioyl-2-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 114291939
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
(2R)-2-amino-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 81410169

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide (CID 82110375) is 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide is CC(NC(=O)C(C)(C)Br)c1ccncc1.
What is the InChIKey of 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide?
The InChIKey is IOJVGLKQPMMTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(9-4-6-13-7-5-9)14-10(15)11(2,3)12/h4-8H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide?
2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 2.43, 3 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-(1-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 82110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).