ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate

C23H25NO2 — CID 101152100

IUPACethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2)C=CN1c1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-11-21-22(23(25)26-4-2)20(18-12-7-5-8-13-18)16-17-24(21)19-14-9-6-10-15-19/h5-10,12-17,20H,3-4,11H2,1-2H3
InChIKeyGOORHCUKPJCVRH-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.42
Rot. Bonds6

About ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate

ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate (PubChem CID 101152100) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate
PubChem CID101152100
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Nameethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2)C=CN1c1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-11-21-22(23(25)26-4-2)20(18-12-7-5-8-13-18)16-17-24(21)19-14-9-6-10-15-19/h5-10,12-17,20H,3-4,11H2,1-2H3
InChIKeyGOORHCUKPJCVRH-UHFFFAOYSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1116133
2-Methoxyethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2855592
3,5-Dimethyl 4-[4-(diethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 653396
Ethyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2848158
2-Methoxyethyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2854858
Propyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2882071
diethyl 4-(4-bromophenyl)-1-[4-(dimethylamino)phenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
CID 3093646
ethyl 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 6263418
Dimethyl 4-[3-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44306875
1-(3,4-Dimethyl-phenyl)-4-(2-fluoro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
CID 630047
Propyl 4-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 647313
Diallyl 4-(4-(dimethylamino)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2891565

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate (CID 101152100) is ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccccc2)C=CN1c1ccccc1.
What is the InChIKey of ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate?
The InChIKey is GOORHCUKPJCVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-11-21-22(23(25)26-4-2)20(18-12-7-5-8-13-18)16-17-24(21)19-14-9-6-10-15-19/h5-10,12-17,20H,3-4,11H2,1-2H3.
What are the key properties of ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate?
ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 101152100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).