N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C12H13BrN4O3 — CID 71985280

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)Nc2ccc(Br)c(C)n2)n1
InChIInChI=1S/C12H13BrN4O3/c1-7-9(13)3-4-10(14-7)16-11(18)5-19-6-12-15-8(2)17-20-12/h3-4H,5-6H2,1-2H3,(H,14,16,18)
InChIKeyRRRHEOLNJGTLAA-UHFFFAOYSA-N
MW341.17 g/mol
LogP2.00
Rot. Bonds5

About N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 71985280) has the molecular formula C12H13BrN4O3 and a molecular weight of 341.17 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID71985280
Molecular FormulaC12H13BrN4O3
Molecular Weight341.17 g/mol
Exact Mass340.02
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)Nc2ccc(Br)c(C)n2)n1
InChIInChI=1S/C12H13BrN4O3/c1-7-9(13)3-4-10(14-7)16-11(18)5-19-6-12-15-8(2)17-20-12/h3-4H,5-6H2,1-2H3,(H,14,16,18)
InChIKeyRRRHEOLNJGTLAA-UHFFFAOYSA-N
XLogP2.00
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 71985280) is N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is Cc1noc(COCC(=O)Nc2ccc(Br)c(C)n2)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is RRRHEOLNJGTLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3/c1-7-9(13)3-4-10(14-7)16-11(18)5-19-6-12-15-8(2)17-20-12/h3-4H,5-6H2,1-2H3,(H,14,16,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 341.17 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 71985280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).