dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate

C24H23NO7 — CID 1262617

IUPACdimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cccc(O)c3)C(C(=O)OC)=C2)cc1
InChIInChI=1S/C24H23NO7/c1-4-32-22(27)15-8-10-17(11-9-15)25-13-19(23(28)30-2)21(20(14-25)24(29)31-3)16-6-5-7-18(26)12-16/h5-14,21,26H,4H2,1-3H3
InChIKeyBHYNERLVQXOGPR-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.29
Rot. Bonds6

About dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 1262617) has the molecular formula C24H23NO7 and a molecular weight of 437.45 g/mol. Its IUPAC name is dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID1262617
Molecular FormulaC24H23NO7
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Namedimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cccc(O)c3)C(C(=O)OC)=C2)cc1
InChIInChI=1S/C24H23NO7/c1-4-32-22(27)15-8-10-17(11-9-15)25-13-19(23(28)30-2)21(20(14-25)24(29)31-3)16-6-5-7-18(26)12-16/h5-14,21,26H,4H2,1-3H3
InChIKeyBHYNERLVQXOGPR-UHFFFAOYSA-N
XLogP3.29
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 1262617) is dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)c1ccc(N2C=C(C(=O)OC)C(c3cccc(O)c3)C(C(=O)OC)=C2)cc1.
What is the InChIKey of dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is BHYNERLVQXOGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7/c1-4-32-22(27)15-8-10-17(11-9-15)25-13-19(23(28)30-2)21(20(14-25)24(29)31-3)16-6-5-7-18(26)12-16/h5-14,21,26H,4H2,1-3H3.
What are the key properties of dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(4-ethoxycarbonylphenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 1262617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).