6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C13H14N4O3 — CID 122053434

IUPAC6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(C2CCCN2c2cccc(C(=O)O)n2)no1
InChIInChI=1S/C13H14N4O3/c1-8-14-12(16-20-8)10-5-3-7-17(10)11-6-2-4-9(15-11)13(18)19/h2,4,6,10H,3,5,7H2,1H3,(H,18,19)
InChIKeyBNRBJZSTKOQWEZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.81
Rot. Bonds3

About 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053434) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053434
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(C2CCCN2c2cccc(C(=O)O)n2)no1
InChIInChI=1S/C13H14N4O3/c1-8-14-12(16-20-8)10-5-3-7-17(10)11-6-2-4-9(15-11)13(18)19/h2,4,6,10H,3,5,7H2,1H3,(H,18,19)
InChIKeyBNRBJZSTKOQWEZ-UHFFFAOYSA-N
XLogP1.81
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122053434) is 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is Cc1nc(C2CCCN2c2cccc(C(=O)O)n2)no1.
What is the InChIKey of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is BNRBJZSTKOQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-14-12(16-20-8)10-5-3-7-17(10)11-6-2-4-9(15-11)13(18)19/h2,4,6,10H,3,5,7H2,1H3,(H,18,19).
What are the key properties of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).