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

C13H14N4O3 — CID 122057954

IUPAC6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1noc(C2CCN(c3cccc(C(=O)O)n3)C2)n1
InChIInChI=1S/C13H14N4O3/c1-8-14-12(20-16-8)9-5-6-17(7-9)11-4-2-3-10(15-11)13(18)19/h2-4,9H,5-7H2,1H3,(H,18,19)
InChIKeyAYSMTMHUOAJZML-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds3

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

6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122057954) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122057954
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1noc(C2CCN(c3cccc(C(=O)O)n3)C2)n1
InChIInChI=1S/C13H14N4O3/c1-8-14-12(20-16-8)9-5-6-17(7-9)11-4-2-3-10(15-11)13(18)19/h2-4,9H,5-7H2,1H3,(H,18,19)
InChIKeyAYSMTMHUOAJZML-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057093
6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128563921
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 63537874
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
CID 158231096
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122057954) is 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is Cc1noc(C2CCN(c3cccc(C(=O)O)n3)C2)n1.
What is the InChIKey of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is AYSMTMHUOAJZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-14-12(20-16-8)9-5-6-17(7-9)11-4-2-3-10(15-11)13(18)19/h2-4,9H,5-7H2,1H3,(H,18,19).
What are the key properties of 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).