ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C27H34N2O5 — CID 54733836

IUPACethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)C(C)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C27H34N2O5/c1-3-34-27(32)24-23(30)18-22(20-10-6-4-7-11-20)29(25(24)21-12-8-5-9-13-21)26(31)19(2)28-14-16-33-17-15-28/h4-13,19,22,25-26,30-31H,3,14-18H2,1-2H3
InChIKeyRZHSMCCXTHYKEM-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.59
Rot. Bonds7

About ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54733836) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54733836
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Nameethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)C(C)N2CCOCC2)C1c1ccccc1
InChIInChI=1S/C27H34N2O5/c1-3-34-27(32)24-23(30)18-22(20-10-6-4-7-11-20)29(25(24)21-12-8-5-9-13-21)26(31)19(2)28-14-16-33-17-15-28/h4-13,19,22,25-26,30-31H,3,14-18H2,1-2H3
InChIKeyRZHSMCCXTHYKEM-UHFFFAOYSA-N
XLogP3.59
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54733836) is ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(O)CC(c2ccccc2)N(C(O)C(C)N2CCOCC2)C1c1ccccc1.
What is the InChIKey of ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is RZHSMCCXTHYKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-3-34-27(32)24-23(30)18-22(20-10-6-4-7-11-20)29(25(24)21-12-8-5-9-13-21)26(31)19(2)28-14-16-33-17-15-28/h4-13,19,22,25-26,30-31H,3,14-18H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 466.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-(1-hydroxy-2-morpholin-4-ylpropyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54733836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).