N-(5-bromo-2-pyridinyl)-2-methylpropanamide

C9H11BrN2O — CID 14988412

IUPACN-(5-bromo-2-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-6(2)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyREPAKPGWFIZPIY-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.44
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2-methylpropanamide

N-(5-bromo-2-pyridinyl)-2-methylpropanamide (PubChem CID 14988412) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-methylpropanamide
PubChem CID14988412
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(5-bromo-2-pyridinyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H11BrN2O/c1-6(2)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyREPAKPGWFIZPIY-UHFFFAOYSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498673
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide
CID 45147954
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 167527674
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 60521847
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-methylpropanamide (CID 14988412) is N-(5-bromo-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-methylpropanamide?
The InChIKey is REPAKPGWFIZPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(2)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-methylpropanamide?
N-(5-bromo-2-pyridinyl)-2-methylpropanamide has a molecular weight of 243.10 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 14988412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).