ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate

C23H24FNO2 — CID 101152109

IUPACethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2)C=CN1c1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-3-8-21-22(23(26)27-4-2)20(17-9-6-5-7-10-17)15-16-25(21)19-13-11-18(24)12-14-19/h5-7,9-16,20H,3-4,8H2,1-2H3
InChIKeyVPKRWXOWWJSFTD-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.56
Rot. Bonds6

About ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate

ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate (PubChem CID 101152109) has the molecular formula C23H24FNO2 and a molecular weight of 365.45 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate
PubChem CID101152109
Molecular FormulaC23H24FNO2
Molecular Weight365.45 g/mol
Exact Mass365.18
IUPAC Nameethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2)C=CN1c1ccc(F)cc1
InChIInChI=1S/C23H24FNO2/c1-3-8-21-22(23(26)27-4-2)20(17-9-6-5-7-10-17)15-16-25(21)19-13-11-18(24)12-14-19/h5-7,9-16,20H,3-4,8H2,1-2H3
InChIKeyVPKRWXOWWJSFTD-UHFFFAOYSA-N
XLogP5.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate (CID 101152109) is ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccccc2)C=CN1c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate?
The InChIKey is VPKRWXOWWJSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2/c1-3-8-21-22(23(26)27-4-2)20(17-9-6-5-7-10-17)15-16-25(21)19-13-11-18(24)12-14-19/h5-7,9-16,20H,3-4,8H2,1-2H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate?
ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate has a molecular weight of 365.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-4-phenyl-2-propyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 101152109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).