ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate

C15H17NO3S — CID 71553041

IUPACethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate
SMILESCCCc1cc(-c2cccs2)[nH]c(=O)c1C(=O)OCC
InChIInChI=1S/C15H17NO3S/c1-3-6-10-9-11(12-7-5-8-20-12)16-14(17)13(10)15(18)19-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyUYQFYZWTIDNSTJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate

ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate (PubChem CID 71553041) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate
PubChem CID71553041
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate
SMILESCCCc1cc(-c2cccs2)[nH]c(=O)c1C(=O)OCC
InChIInChI=1S/C15H17NO3S/c1-3-6-10-9-11(12-7-5-8-20-12)16-14(17)13(10)15(18)19-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyUYQFYZWTIDNSTJ-UHFFFAOYSA-N
XLogP3.23
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate (CID 71553041) is ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate is CCCc1cc(-c2cccs2)[nH]c(=O)c1C(=O)OCC.
What is the InChIKey of ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
The InChIKey is UYQFYZWTIDNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-6-10-9-11(12-7-5-8-20-12)16-14(17)13(10)15(18)19-4-2/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate?
ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-propyl-6-thiophen-2-yl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71553041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).