ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate

C12H15N5O3 — CID 106407447

IUPACethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NCCc1ncon1
InChIInChI=1S/C12H15N5O3/c1-2-19-12(18)9-5-8(13)6-15-11(9)14-4-3-10-16-7-20-17-10/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyCDOBWXWLSLLQDR-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.88
Rot. Bonds6

About ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate

ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 106407447) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
PubChem CID106407447
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Nameethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1NCCc1ncon1
InChIInChI=1S/C12H15N5O3/c1-2-19-12(18)9-5-8(13)6-15-11(9)14-4-3-10-16-7-20-17-10/h5-7H,2-4,13H2,1H3,(H,14,15)
InChIKeyCDOBWXWLSLLQDR-UHFFFAOYSA-N
XLogP0.88
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106422564
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
ethyl 5-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 106098243
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 106404269
ethyl 3-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106422570
2-methyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114184042

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate (CID 106407447) is ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1NCCc1ncon1.
What is the InChIKey of ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is CDOBWXWLSLLQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-2-19-12(18)9-5-8(13)6-15-11(9)14-4-3-10-16-7-20-17-10/h5-7H,2-4,13H2,1H3,(H,14,15).
What are the key properties of ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate?
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 106407447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).