3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide

C11H16BrN3O — CID 104796849

IUPAC3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-15(2)11(16)3-4-13-6-9-5-10(12)8-14-7-9/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyGMEKUPBUHJDGPK-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.41
Rot. Bonds5

About 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide

3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 104796849) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
PubChem CID104796849
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-15(2)11(16)3-4-13-6-9-5-10(12)8-14-7-9/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyGMEKUPBUHJDGPK-UHFFFAOYSA-N
XLogP1.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 115778146
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926272
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774
N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
N-[(5-bromo-3-pyridinyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 104856993
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460
N-[3-[(5-bromo-3-pyridinyl)methylamino]propyl]methanesulfonamide
CID 104856887
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
N,N-dimethyl-3-(pyrazin-2-ylmethylamino)propanamide
CID 62762015
N-[(5-bromo-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527851

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide (CID 104796849) is 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is GMEKUPBUHJDGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15(2)11(16)3-4-13-6-9-5-10(12)8-14-7-9/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide?
3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 104796849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).