4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid

C12H13N3O5 — CID 170512125

IUPAC4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCOc2nonc2C)c(=O)c1C(=O)O
InChIInChI=1S/C12H13N3O5/c1-7-3-4-15(11(16)9(7)12(17)18)5-6-19-10-8(2)13-20-14-10/h3-4H,5-6H2,1-2H3,(H,17,18)
InChIKeyRQWLUXSCLGEPBA-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.63
Rot. Bonds5

About 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid

4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 170512125) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID170512125
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(CCOc2nonc2C)c(=O)c1C(=O)O
InChIInChI=1S/C12H13N3O5/c1-7-3-4-15(11(16)9(7)12(17)18)5-6-19-10-8(2)13-20-14-10/h3-4H,5-6H2,1-2H3,(H,17,18)
InChIKeyRQWLUXSCLGEPBA-UHFFFAOYSA-N
XLogP0.63
TPSA107.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid (CID 170512125) is 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid is Cc1ccn(CCOc2nonc2C)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is RQWLUXSCLGEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-7-3-4-15(11(16)9(7)12(17)18)5-6-19-10-8(2)13-20-14-10/h3-4H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid?
4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170512125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).