2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide

C17H20BrN3O — CID 46665804

IUPAC2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1
InChIInChI=1S/C17H20BrN3O/c1-2-10-21(12-14-6-4-3-5-7-14)13-17(22)20-16-9-8-15(18)11-19-16/h3-9,11H,2,10,12-13H2,1H3,(H,19,20,22)
InChIKeyVSKYFPOYHKAPGI-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.69
Rot. Bonds7

About 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide

2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 46665804) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID46665804
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1
InChIInChI=1S/C17H20BrN3O/c1-2-10-21(12-14-6-4-3-5-7-14)13-17(22)20-16-9-8-15(18)11-19-16/h3-9,11H,2,10,12-13H2,1H3,(H,19,20,22)
InChIKeyVSKYFPOYHKAPGI-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
N-(5-bromo-2-pyridinyl)-4-(diethylaminomethyl)benzamide
CID 52636966
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820100
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
N-[(5-bromo-2-pyridinyl)carbamothioyl]-2-phenylacetamide
CID 1346272
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110881682
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide (CID 46665804) is 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide is CCCN(CC(=O)Nc1ccc(Br)cn1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is VSKYFPOYHKAPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-2-10-21(12-14-6-4-3-5-7-14)13-17(22)20-16-9-8-15(18)11-19-16/h3-9,11H,2,10,12-13H2,1H3,(H,19,20,22).
What are the key properties of 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide?
2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 46665804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).