2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide

C11H16BrN3O — CID 105367812

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ncc(C)cc1Br
InChIInChI=1S/C11H16BrN3O/c1-4-13-10(16)7-15(3)11-9(12)5-8(2)6-14-11/h5-6H,4,7H2,1-3H3,(H,13,16)
InChIKeyGAYJOIWFAVJZIE-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.72
Rot. Bonds4

About 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide

2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide (PubChem CID 105367812) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
PubChem CID105367812
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ncc(C)cc1Br
InChIInChI=1S/C11H16BrN3O/c1-4-13-10(16)7-15(3)11-9(12)5-8(2)6-14-11/h5-6H,4,7H2,1-3H3,(H,13,16)
InChIKeyGAYJOIWFAVJZIE-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-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 104923944
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
N-ethyl-2-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629706
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
2-[(3-carbamothioylpyrazin-2-yl)-methylamino]-N-ethylacetamide
CID 62683608
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 79531880
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide (CID 105367812) is 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1ncc(C)cc1Br.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
The InChIKey is GAYJOIWFAVJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-4-13-10(16)7-15(3)11-9(12)5-8(2)6-14-11/h5-6H,4,7H2,1-3H3,(H,13,16).
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide?
2-[(3-bromo-5-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-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 105367812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).