2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C23H27NO2 — CID 10760249

IUPAC2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1
InChIInChI=1S/C23H27NO2/c1-3-24-15-13-21(20-7-5-4-6-8-20)22(17-24)23(25)26-16-14-19-11-9-18(2)10-12-19/h4-12H,3,13-17H2,1-2H3
InChIKeyVQMYCZUUGWZZTK-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 10760249) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID10760249
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1
InChIInChI=1S/C23H27NO2/c1-3-24-15-13-21(20-7-5-4-6-8-20)22(17-24)23(25)26-16-14-19-11-9-18(2)10-12-19/h4-12H,3,13-17H2,1-2H3
InChIKeyVQMYCZUUGWZZTK-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 10760249) is 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1.
What is the InChIKey of 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is VQMYCZUUGWZZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-24-15-13-21(20-7-5-4-6-8-20)22(17-24)23(25)26-16-14-19-11-9-18(2)10-12-19/h4-12H,3,13-17H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 10760249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).