ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate

C22H27NO4 — CID 53303824

IUPACethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC2CCCCC2)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H27NO4/c1-2-26-22(25)20-19(27-18-11-7-4-8-12-18)15-17(23-21(20)24)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,2,4,7-8,11-14H2,1H3,(H,23,24)
InChIKeyJGELHCPVUOJVPM-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.05
Rot. Bonds7

About ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate

ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate (PubChem CID 53303824) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate
PubChem CID53303824
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC2CCCCC2)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H27NO4/c1-2-26-22(25)20-19(27-18-11-7-4-8-12-18)15-17(23-21(20)24)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,2,4,7-8,11-14H2,1H3,(H,23,24)
InChIKeyJGELHCPVUOJVPM-UHFFFAOYSA-N
XLogP4.05
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate (CID 53303824) is ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate is CCOC(=O)c1c(OC2CCCCC2)cc(CCc2ccccc2)[nH]c1=O.
What is the InChIKey of ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate?
The InChIKey is JGELHCPVUOJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-2-26-22(25)20-19(27-18-11-7-4-8-12-18)15-17(23-21(20)24)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,2,4,7-8,11-14H2,1H3,(H,23,24).
What are the key properties of ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate?
ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 53303824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).