ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate

C44H38N4O6 — CID 59288320

IUPACethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(/C=C/c3ccc(OC)cc3)cc(-c3cc(/C=C/c4ccc(OC)cc4)cc(-c4cc(C(=O)OCC)ccn4)n3)n2)c1
InChIInChI=1S/C44H38N4O6/c1-5-53-43(49)33-19-21-45-37(27-33)39-23-31(9-7-29-11-15-35(51-3)16-12-29)25-41(47-39)42-26-32(10-8-30-13-17-36(52-4)18-14-30)24-40(48-42)38-28-34(20-22-46-38)44(50)54-6-2/h7-28H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyUUDAIRVCDMOTQT-FIFLTTCUSA-N
MW718.81 g/mol
LogP8.98
Rot. Bonds13

About ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate

ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate (PubChem CID 59288320) has the molecular formula C44H38N4O6 and a molecular weight of 718.81 g/mol. Its IUPAC name is ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate
PubChem CID59288320
Molecular FormulaC44H38N4O6
Molecular Weight718.81 g/mol
Exact Mass718.28
IUPAC Nameethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2cc(/C=C/c3ccc(OC)cc3)cc(-c3cc(/C=C/c4ccc(OC)cc4)cc(-c4cc(C(=O)OCC)ccn4)n3)n2)c1
InChIInChI=1S/C44H38N4O6/c1-5-53-43(49)33-19-21-45-37(27-33)39-23-31(9-7-29-11-15-35(51-3)16-12-29)25-41(47-39)42-26-32(10-8-30-13-17-36(52-4)18-14-30)24-40(48-42)38-28-34(20-22-46-38)44(50)54-6-2/h7-28H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyUUDAIRVCDMOTQT-FIFLTTCUSA-N
XLogP8.98
TPSA122.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.81
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate (CID 59288320) is ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2cc(/C=C/c3ccc(OC)cc3)cc(-c3cc(/C=C/c4ccc(OC)cc4)cc(-c4cc(C(=O)OCC)ccn4)n3)n2)c1.
What is the InChIKey of ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate?
The InChIKey is UUDAIRVCDMOTQT-FIFLTTCUSA-N. The full InChI is InChI=1S/C44H38N4O6/c1-5-53-43(49)33-19-21-45-37(27-33)39-23-31(9-7-29-11-15-35(51-3)16-12-29)25-41(47-39)42-26-32(10-8-30-13-17-36(52-4)18-14-30)24-40(48-42)38-28-34(20-22-46-38)44(50)54-6-2/h7-28H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate?
ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate has a molecular weight of 718.81 g/mol, XLogP of 8.98, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[6-(4-ethoxycarbonyl-2-pyridinyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-4-carboxylate is sourced from PubChem (CID 59288320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).