2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide

C12H18BrN3O — CID 113454208

IUPAC2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-9(2)4-16-12(17)8-15-6-10-3-11(13)7-14-5-10/h3,5,7,9,15H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyLHKAPTOAPWANNO-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.71
Rot. Bonds6

About 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide

2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 113454208) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID113454208
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-9(2)4-16-12(17)8-15-6-10-3-11(13)7-14-5-10/h3,5,7,9,15H,4,6,8H2,1-2H3,(H,16,17)
InChIKeyLHKAPTOAPWANNO-UHFFFAOYSA-N
XLogP1.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 104797006
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 113454150
3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 104796849
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
N-[(5-bromo-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 104796774
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113456069
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide (CID 113454208) is 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is LHKAPTOAPWANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9(2)4-16-12(17)8-15-6-10-3-11(13)7-14-5-10/h3,5,7,9,15H,4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 300.20 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113454208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).