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

C26H28FNO4 — CID 17370196

IUPACdiethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C26H28FNO4/c1-6-31-25(29)22-17(4)28(21-14-8-16(3)9-15-21)18(5)23(26(30)32-7-2)24(22)19-10-12-20(27)13-11-19/h8-15,24H,6-7H2,1-5H3
InChIKeyMPGOVHSAQJTENH-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.41
Rot. Bonds6

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

diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 17370196) has the molecular formula C26H28FNO4 and a molecular weight of 437.51 g/mol. Its IUPAC name is diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID17370196
Molecular FormulaC26H28FNO4
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Namediethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OCC)C1c1ccc(F)cc1
InChIInChI=1S/C26H28FNO4/c1-6-31-25(29)22-17(4)28(21-14-8-16(3)9-15-21)18(5)23(26(30)32-7-2)24(22)19-10-12-20(27)13-11-19/h8-15,24H,6-7H2,1-5H3
InChIKeyMPGOVHSAQJTENH-UHFFFAOYSA-N
XLogP5.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-1-(3-methylphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920424
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
1-(3-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4901500
4-(4-ethylphenyl)-1-(3-fluorophenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 5294745
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
1-(4-fluorophenyl)-4-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920462
4-(4-fluorophenyl)-1-phenyl-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
CID 4920415
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-aminophenyl)-2,6-dimethyl-, diethyl ester
CID 210878
3,5-Pyridinedicarboxylic acid, 4-(4-(acetylamino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
CID 356261
Dimethyl 1-(3,4-difluorophenyl)-4-(4-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1313969

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate (CID 17370196) is diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OCC)C1c1ccc(F)cc1.
What is the InChIKey of diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is MPGOVHSAQJTENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO4/c1-6-31-25(29)22-17(4)28(21-14-8-16(3)9-15-21)18(5)23(26(30)32-7-2)24(22)19-10-12-20(27)13-11-19/h8-15,24H,6-7H2,1-5H3.
What are the key properties of diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.51 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1-(4-methylphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 17370196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).