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

C10H13BrFN3O — CID 104923944

IUPAC2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C10H13BrFN3O/c1-3-13-9(16)6-15(2)10-8(12)4-7(11)5-14-10/h4-5H,3,6H2,1-2H3,(H,13,16)
InChIKeyJYUGNDYQIUOVRO-UHFFFAOYSA-N
MW290.14 g/mol
LogP1.56
Rot. Bonds4

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

2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide (PubChem CID 104923944) has the molecular formula C10H13BrFN3O and a molecular weight of 290.14 g/mol. Its IUPAC name is 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
PubChem CID104923944
Molecular FormulaC10H13BrFN3O
Molecular Weight290.14 g/mol
Exact Mass289.02
IUPAC Name2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1ncc(Br)cc1F
InChIInChI=1S/C10H13BrFN3O/c1-3-13-9(16)6-15(2)10-8(12)4-7(11)5-14-10/h4-5H,3,6H2,1-2H3,(H,13,16)
InChIKeyJYUGNDYQIUOVRO-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 105367812
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
2-[(5-bromo-3-nitro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 54985802
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 47339435
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
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
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide (CID 104923944) is 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1ncc(Br)cc1F.
What is the InChIKey of 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide?
The InChIKey is JYUGNDYQIUOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3O/c1-3-13-9(16)6-15(2)10-8(12)4-7(11)5-14-10/h4-5H,3,6H2,1-2H3,(H,13,16).
What are the key properties of 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide?
2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide has a molecular weight of 290.14 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 104923944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).