ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate

C13H11N3O2S — CID 102742023

IUPACethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccc(C#N)s2)c1N
InChIInChI=1S/C13H11N3O2S/c1-2-18-13(17)9-5-6-16-12(11(9)15)10-4-3-8(7-14)19-10/h3-6H,2,15H2,1H3
InChIKeyJSLILIBOLFXCMM-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds3

About ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate

ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate (PubChem CID 102742023) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate
PubChem CID102742023
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Nameethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccc(C#N)s2)c1N
InChIInChI=1S/C13H11N3O2S/c1-2-18-13(17)9-5-6-16-12(11(9)15)10-4-3-8(7-14)19-10/h3-6H,2,15H2,1H3
InChIKeyJSLILIBOLFXCMM-UHFFFAOYSA-N
XLogP2.44
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 3-amino-2-(5-methylthiophen-2-yl)pyridine-4-carboxylate
CID 102742043
ethyl 2-cyano-3-sulfanylpyridine-4-carboxylate
CID 130775364
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 3-cyano-2-(difluoromethyl)pyridine-4-carboxylate
CID 133097606
ethyl 4-cyano-3-[4-(5-cyanothiophen-2-yl)phenyl]-5-ethylthiophene-2-carboxylate
CID 58873139
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
CID 82006675
ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252
ethyl 2-amino-3-(3-cyano-1,2,4-triazol-1-yl)benzoate
CID 115546816
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate (CID 102742023) is ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2ccc(C#N)s2)c1N.
What is the InChIKey of ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate?
The InChIKey is JSLILIBOLFXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-2-18-13(17)9-5-6-16-12(11(9)15)10-4-3-8(7-14)19-10/h3-6H,2,15H2,1H3.
What are the key properties of ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate?
ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate has a molecular weight of 273.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(5-cyanothiophen-2-yl)pyridine-4-carboxylate is sourced from PubChem (CID 102742023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).