2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide

C11H16BrN3O — CID 104923461

IUPAC2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-3-15(2)11(16)8-13-7-10-5-4-9(12)6-14-10/h4-6,13H,3,7-8H2,1-2H3
InChIKeyGXNRBLLRYWSKMO-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.41
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide

2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 104923461) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID104923461
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-3-15(2)11(16)8-13-7-10-5-4-9(12)6-14-10/h4-6,13H,3,7-8H2,1-2H3
InChIKeyGXNRBLLRYWSKMO-UHFFFAOYSA-N
XLogP1.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
2-Methyl-1-phenylcarbamoylmethyl-pyridinium
CID 24746771
Ace-041
CID 45480413
5-Bromo-N-methylpyridine-2-carboxamide
CID 22831620
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-pyridinylmethyl)amino)-
CID 454397
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1073019
N-methyl-2-oxo-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]acetamide
CID 9593898
Pyridinium, 1-[2-[(2-bromophenyl)amino]-2-oxoethyl]-, chloride
CID 12268926
2-[(4-bromophenyl)carbamoylamino]-N-pyridin-3-ylacetamide
CID 53552475

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide (CID 104923461) is 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is GXNRBLLRYWSKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-3-15(2)11(16)8-13-7-10-5-4-9(12)6-14-10/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide?
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 286.17 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104923461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).