diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate

C19H23NO5 — CID 16738818

IUPACdiethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(CCO)C=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C19H23NO5/c1-3-24-18(22)15-12-20(10-11-21)13-16(19(23)25-4-2)17(15)14-8-6-5-7-9-14/h5-9,12-13,17,21H,3-4,10-11H2,1-2H3
InChIKeyZMDUDDQAYDECCE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.97
Rot. Bonds7

About diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate

diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 16738818) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID16738818
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namediethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(CCO)C=C(C(=O)OCC)C1c1ccccc1
InChIInChI=1S/C19H23NO5/c1-3-24-18(22)15-12-20(10-11-21)13-16(19(23)25-4-2)17(15)14-8-6-5-7-9-14/h5-9,12-13,17,21H,3-4,10-11H2,1-2H3
InChIKeyZMDUDDQAYDECCE-UHFFFAOYSA-N
XLogP1.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758718
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
diethyl 1-benzyl-4-quinolin-3-yl-4H-pyridine-3,5-dicarboxylate
CID 155532314
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612
diethyl 4-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-4H-pyridine-3,5-dicarboxylate
CID 4131861
diethyl 4-(4-bromophenyl)-1-(2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 71653160
ethyl (3E)-3-ethylidene-4-oxo-5-phenylcyclopentene-1-carboxylate
CID 100962875
ethyl 1-benzhydryl-3-phenyl-2,3-dihydropyrrole-4-carboxylate
CID 164675466
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 16738818) is diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(CCO)C=C(C(=O)OCC)C1c1ccccc1.
What is the InChIKey of diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is ZMDUDDQAYDECCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-24-18(22)15-12-20(10-11-21)13-16(19(23)25-4-2)17(15)14-8-6-5-7-9-14/h5-9,12-13,17,21H,3-4,10-11H2,1-2H3.
What are the key properties of diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate?
diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 16738818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).