2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide

C9H12BrN3O2 — CID 79479131

IUPAC2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide
SMILESNCCOCC(=O)Nc1ncccc1Br
InChIInChI=1S/C9H12BrN3O2/c10-7-2-1-4-12-9(7)13-8(14)6-15-5-3-11/h1-2,4H,3,5-6,11H2,(H,12,13,14)
InChIKeyLPCLWJCTHXWTON-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.76
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide

2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide (PubChem CID 79479131) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide
PubChem CID79479131
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide
SMILESNCCOCC(=O)Nc1ncccc1Br
InChIInChI=1S/C9H12BrN3O2/c10-7-2-1-4-12-9(7)13-8(14)6-15-5-3-11/h1-2,4H,3,5-6,11H2,(H,12,13,14)
InChIKeyLPCLWJCTHXWTON-UHFFFAOYSA-N
XLogP0.76
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
N-(3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103725412
2-(2-aminoethoxy)-N-(2-propan-2-yloxy-3-pyridinyl)acetamide
CID 79479427
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
2-(2-aminoethoxy)-N-(2,5-dibromophenyl)acetamide
CID 79474102
2-(2-aminoethoxy)-N-(2,4-dibromophenyl)acetamide
CID 79473463
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
CID 104685237
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
2-(2-aminoethoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 79478693
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
2-amino-N-(3-bromo-2-pyridinyl)-3-methylpentanamide
CID 77071895

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide (CID 79479131) is 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide is NCCOCC(=O)Nc1ncccc1Br.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide?
The InChIKey is LPCLWJCTHXWTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-7-2-1-4-12-9(7)13-8(14)6-15-5-3-11/h1-2,4H,3,5-6,11H2,(H,12,13,14).
What are the key properties of 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide?
2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide has a molecular weight of 274.12 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 79479131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).