2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

C14H20BrN3O2 — CID 84599769

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)COc1cncc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-17(6-7-18-4-2-3-5-18)14(19)11-20-13-8-12(15)9-16-10-13/h8-10H,2-7,11H2,1H3
InChIKeyBBQBKKRJENYQFG-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.78
Rot. Bonds6

About 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 84599769) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID84599769
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCC1)C(=O)COc1cncc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-17(6-7-18-4-2-3-5-18)14(19)11-20-13-8-12(15)9-16-10-13/h8-10H,2-7,11H2,1H3
InChIKeyBBQBKKRJENYQFG-UHFFFAOYSA-N
XLogP1.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 84599769) is 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is CN(CCN1CCCC1)C(=O)COc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is BBQBKKRJENYQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-17(6-7-18-4-2-3-5-18)14(19)11-20-13-8-12(15)9-16-10-13/h8-10H,2-7,11H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 84599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).