ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate

C20H23NO4 — CID 71655134

IUPACethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC2CCCC2)cc(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C20H23NO4/c1-2-24-20(23)18-17(25-16-10-6-7-11-16)13-15(21-19(18)22)12-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H,21,22)
InChIKeyJFOOGJRXLQLIGN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds6

About ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate

ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 71655134) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate
PubChem CID71655134
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC2CCCC2)cc(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C20H23NO4/c1-2-24-20(23)18-17(25-16-10-6-7-11-16)13-15(21-19(18)22)12-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H,21,22)
InChIKeyJFOOGJRXLQLIGN-UHFFFAOYSA-N
XLogP3.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate (CID 71655134) is ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(OC2CCCC2)cc(Cc2ccccc2)[nH]c1=O.
What is the InChIKey of ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is JFOOGJRXLQLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-24-20(23)18-17(25-16-10-6-7-11-16)13-15(21-19(18)22)12-14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3,(H,21,22).
What are the key properties of ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate?
ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-4-cyclopentyloxy-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 71655134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).