N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide

C13H20BrN3O — CID 47287887

IUPACN-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c1-10(2)6-7-17(3)9-13(18)16-12-5-4-11(14)8-15-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16,18)
InChIKeyXJDGIBKETNZHQP-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.76
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide (PubChem CID 47287887) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
PubChem CID47287887
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H20BrN3O/c1-10(2)6-7-17(3)9-13(18)16-12-5-4-11(14)8-15-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16,18)
InChIKeyXJDGIBKETNZHQP-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
2-[3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]propanoylamino]thiophene-3-carboxamide
CID 56549482
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 56549489
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 120903166
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 46665804

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide (CID 47287887) is N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide is CC(C)CCN(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide?
The InChIKey is XJDGIBKETNZHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10(2)6-7-17(3)9-13(18)16-12-5-4-11(14)8-15-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide has a molecular weight of 314.23 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 47287887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).