5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate

C23H23NO5 — CID 102202438

IUPAC5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC(C)(C)C)c(-c2ccco2)n1
InChIInChI=1S/C23H23NO5/c1-5-27-21(25)17-14-16(15-10-7-6-8-11-15)19(22(26)29-23(2,3)4)20(24-17)18-12-9-13-28-18/h6-14H,5H2,1-4H3
InChIKeyCZYFADYHHXUHOM-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.14
Rot. Bonds5

About 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate

5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate (PubChem CID 102202438) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate
PubChem CID102202438
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC(C)(C)C)c(-c2ccco2)n1
InChIInChI=1S/C23H23NO5/c1-5-27-21(25)17-14-16(15-10-7-6-8-11-15)19(22(26)29-23(2,3)4)20(24-17)18-12-9-13-28-18/h6-14H,5H2,1-4H3
InChIKeyCZYFADYHHXUHOM-UHFFFAOYSA-N
XLogP5.14
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
ethyl 2-tert-butyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116533782
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 2-ethyl-6-(furan-2-yl)-5-methylpyridine-3-carboxylate
CID 116532867
ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 4-formyl-6-(furan-2-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 146364875
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate (CID 102202438) is 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate is CCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC(C)(C)C)c(-c2ccco2)n1.
What is the InChIKey of 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate?
The InChIKey is CZYFADYHHXUHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-5-27-21(25)17-14-16(15-10-7-6-8-11-15)19(22(26)29-23(2,3)4)20(24-17)18-12-9-13-28-18/h6-14H,5H2,1-4H3.
What are the key properties of 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate?
5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate has a molecular weight of 393.44 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 2-O-ethyl 6-(furan-2-yl)-4-phenylpyridine-2,5-dicarboxylate is sourced from PubChem (CID 102202438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).