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

C22H25NO2 — CID 71574178

IUPACethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)CCN(CCc2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-2-25-22(24)21-17-23(15-13-18-9-5-3-6-10-18)16-14-20(21)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeySKFWOJGSHXWAGS-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.95
Rot. Bonds6

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

ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 71574178) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID71574178
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Nameethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)CCN(CCc2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-2-25-22(24)21-17-23(15-13-18-9-5-3-6-10-18)16-14-20(21)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
InChIKeySKFWOJGSHXWAGS-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 71574178) is ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)CCN(CCc2ccccc2)C1.
What is the InChIKey of ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is SKFWOJGSHXWAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-25-22(24)21-17-23(15-13-18-9-5-3-6-10-18)16-14-20(21)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3.
What are the key properties of ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 71574178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).