2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide

C10H14BrN3O2 — CID 106239798

IUPAC2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
SMILESCc1nc(NCCOCC(N)=O)ccc1Br
InChIInChI=1S/C10H14BrN3O2/c1-7-8(11)2-3-10(14-7)13-4-5-16-6-9(12)15/h2-3H,4-6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyWGBBAHFRNBOJFU-UHFFFAOYSA-N
MW288.15 g/mol
LogP1.07
Rot. Bonds6

About 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide

2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide (PubChem CID 106239798) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
PubChem CID106239798
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide
SMILESCc1nc(NCCOCC(N)=O)ccc1Br
InChIInChI=1S/C10H14BrN3O2/c1-7-8(11)2-3-10(14-7)13-4-5-16-6-9(12)15/h2-3H,4-6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyWGBBAHFRNBOJFU-UHFFFAOYSA-N
XLogP1.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide (CID 106239798) is 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide is Cc1nc(NCCOCC(N)=O)ccc1Br.
What is the InChIKey of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide?
The InChIKey is WGBBAHFRNBOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7-8(11)2-3-10(14-7)13-4-5-16-6-9(12)15/h2-3H,4-6H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide?
2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide has a molecular weight of 288.15 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).