N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide

C11H15BrN2O2 — CID 46737856

IUPACN-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCOc1cnc(Br)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)10(15)14-8-5-7(16-4)6-13-9(8)12/h5-6H,1-4H3,(H,14,15)
InChIKeyICUMHDBWIKRSGC-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.84
Rot. Bonds2

About N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide

N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 46737856) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
PubChem CID46737856
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCOc1cnc(Br)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C11H15BrN2O2/c1-11(2,3)10(15)14-8-5-7(16-4)6-13-9(8)12/h5-6H,1-4H3,(H,14,15)
InChIKeyICUMHDBWIKRSGC-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-[3-(5-chloro-2-methoxy-4-pyridinyl)-5-methoxy-2-pyridinyl]-2,2-dimethylpropanamide
CID 58354718
2-[2-(2,2-dimethylpropanoylamino)-4-methoxyphenyl]propanoic acid
CID 67638357
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
2-bromo-3-ethyl-5-methoxypyridine
CID 133058032
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
N-[2-(4-chlorobenzoyl)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 135058493
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098119
N-(2-bromo-5-chloro-3-pyridinyl)acetamide
CID 130535452

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide (CID 46737856) is N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide is COc1cnc(Br)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is ICUMHDBWIKRSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2,3)10(15)14-8-5-7(16-4)6-13-9(8)12/h5-6H,1-4H3,(H,14,15).
What are the key properties of N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 287.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxy-3-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 46737856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).