cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate

C14H19NO4 — CID 154341465

IUPACcyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCCOc1cc(C(=O)OC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H19NO4/c1-2-18-13-9-10(8-12(16)15-13)14(17)19-11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,15,16)
InChIKeyLYIQUGSDSWIEHG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.26
Rot. Bonds4

About cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate

cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 154341465) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate
PubChem CID154341465
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namecyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate
SMILESCCOc1cc(C(=O)OC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H19NO4/c1-2-18-13-9-10(8-12(16)15-13)14(17)19-11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,15,16)
InChIKeyLYIQUGSDSWIEHG-UHFFFAOYSA-N
XLogP2.26
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate (CID 154341465) is cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate is CCOc1cc(C(=O)OC2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is LYIQUGSDSWIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-18-13-9-10(8-12(16)15-13)14(17)19-11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,15,16).
What are the key properties of cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate?
cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-ethoxy-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 154341465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).