N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide

C11H15BrN2O3 — CID 71861291

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2O3/c1-8-5-10(13-6-9(8)12)14-11(15)7-17-4-3-16-2/h5-6H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyHOIHRWQYLUDKHW-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.75
Rot. Bonds6

About N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 71861291) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide
PubChem CID71861291
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H15BrN2O3/c1-8-5-10(13-6-9(8)12)14-11(15)7-17-4-3-16-2/h5-6H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyHOIHRWQYLUDKHW-UHFFFAOYSA-N
XLogP1.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
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 N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide (CID 71861291) is N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is HOIHRWQYLUDKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-8-5-10(13-6-9(8)12)14-11(15)7-17-4-3-16-2/h5-6H,3-4,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 303.16 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 71861291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).