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

C11H11ClN4O3 — CID 114186371

IUPAC5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1nc(CCNc2ncc(C(=O)O)cc2Cl)no1
InChIInChI=1S/C11H11ClN4O3/c1-6-15-9(16-19-6)2-3-13-10-8(12)4-7(5-14-10)11(17)18/h4-5H,2-3H2,1H3,(H,13,14)(H,17,18)
InChIKeyOSNCBQWGUSIPBW-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.78
Rot. Bonds5

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

5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 114186371) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID114186371
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Name5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1nc(CCNc2ncc(C(=O)O)cc2Cl)no1
InChIInChI=1S/C11H11ClN4O3/c1-6-15-9(16-19-6)2-3-13-10-8(12)4-7(5-14-10)11(17)18/h4-5H,2-3H2,1H3,(H,13,14)(H,17,18)
InChIKeyOSNCBQWGUSIPBW-UHFFFAOYSA-N
XLogP1.78
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
6-[2-(1,2-benzoxazol-3-yl)ethylamino]-5-chloropyridine-3-carboxylic acid
CID 167808521
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
3-methyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114186370
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
5,6-dimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106423241
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
CID 106339921
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazine-4-carboxylic acid
CID 114186957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid (CID 114186371) is 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid is Cc1nc(CCNc2ncc(C(=O)O)cc2Cl)no1.
What is the InChIKey of 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is OSNCBQWGUSIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-6-15-9(16-19-6)2-3-13-10-8(12)4-7(5-14-10)11(17)18/h4-5H,2-3H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 282.69 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114186371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).