2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide

C11H16BrN3O — CID 115773945

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-4-13-11(16)7-15(3)10-5-8(2)9(12)6-14-10/h5-6H,4,7H2,1-3H3,(H,13,16)
InChIKeyLHSVOPKABBXNPO-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.72
Rot. Bonds4

About 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide

2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide (PubChem CID 115773945) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
PubChem CID115773945
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cc(C)c(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-4-13-11(16)7-15(3)10-5-8(2)9(12)6-14-10/h5-6H,4,7H2,1-3H3,(H,13,16)
InChIKeyLHSVOPKABBXNPO-UHFFFAOYSA-N
XLogP1.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
2-[(5-amino-4-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 79173345
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 105367812
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
CID 69045703
2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 104923944
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 80805134

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide (CID 115773945) is 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1cc(C)c(Br)cn1.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
The InChIKey is LHSVOPKABBXNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-4-13-11(16)7-15(3)10-5-8(2)9(12)6-14-10/h5-6H,4,7H2,1-3H3,(H,13,16).
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide has a molecular weight of 286.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 115773945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).