dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate

C26H28FNO4 — CID 14721222

IUPACdimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(CCCc2ccccc2)C(C)=C(C(=O)OC)C1c1ccc(F)cc1
InChIInChI=1S/C26H28FNO4/c1-17-22(25(29)31-3)24(20-12-14-21(27)15-13-20)23(26(30)32-4)18(2)28(17)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,24H,8,11,16H2,1-4H3
InChIKeyVFYDKKRMYQZUSU-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.75
Rot. Bonds7

About dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 14721222) has the molecular formula C26H28FNO4 and a molecular weight of 437.51 g/mol. Its IUPAC name is dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID14721222
Molecular FormulaC26H28FNO4
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Namedimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(CCCc2ccccc2)C(C)=C(C(=O)OC)C1c1ccc(F)cc1
InChIInChI=1S/C26H28FNO4/c1-17-22(25(29)31-3)24(20-12-14-21(27)15-13-20)23(26(30)32-4)18(2)28(17)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,24H,8,11,16H2,1-4H3
InChIKeyVFYDKKRMYQZUSU-UHFFFAOYSA-N
XLogP4.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate (CID 14721222) is dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(CCCc2ccccc2)C(C)=C(C(=O)OC)C1c1ccc(F)cc1.
What is the InChIKey of dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is VFYDKKRMYQZUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO4/c1-17-22(25(29)31-3)24(20-12-14-21(27)15-13-20)23(26(30)32-4)18(2)28(17)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,24H,8,11,16H2,1-4H3.
What are the key properties of dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(3-phenylpropyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 14721222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).