ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate

C11H12N4O3 — CID 106400737

IUPACethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ncon2)nc1
InChIInChI=1S/C11H12N4O3/c1-2-17-11(16)8-3-4-9(12-5-8)13-6-10-14-7-18-15-10/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeySQBSPVROTZFPRY-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.25
Rot. Bonds5

About ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate

ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate (PubChem CID 106400737) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
PubChem CID106400737
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Nameethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCc2ncon2)nc1
InChIInChI=1S/C11H12N4O3/c1-2-17-11(16)8-3-4-9(12-5-8)13-6-10-14-7-18-15-10/h3-5,7H,2,6H2,1H3,(H,12,13)
InChIKeySQBSPVROTZFPRY-UHFFFAOYSA-N
XLogP1.25
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
methyl 5-amino-2-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-4-carboxylate
CID 106407309
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[(5-amino-1H-pyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79530640
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
ethyl 6-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridine-3-carboxylate
CID 133440185

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate (CID 106400737) is ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCc2ncon2)nc1.
What is the InChIKey of ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is SQBSPVROTZFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-2-17-11(16)8-3-4-9(12-5-8)13-6-10-14-7-18-15-10/h3-5,7H,2,6H2,1H3,(H,12,13).
What are the key properties of ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate?
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 106400737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).