3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

C24H30F3NO5 — CID 19016594

IUPAC3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCN1C(C)=C(C(=O)OCCOC)C(c2ccc(C(F)(F)F)cc2)C(C(=O)OC(C)C)=C1C
InChIInChI=1S/C24H30F3NO5/c1-7-28-15(4)19(22(29)32-13-12-31-6)21(20(16(28)5)23(30)33-14(2)3)17-8-10-18(11-9-17)24(25,26)27/h8-11,14,21H,7,12-13H2,1-6H3
InChIKeyQDNNNDTZHVZDEH-UHFFFAOYSA-N
MW469.50 g/mol
LogP4.81
Rot. Bonds8

About 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate (PubChem CID 19016594) has the molecular formula C24H30F3NO5 and a molecular weight of 469.50 g/mol. Its IUPAC name is 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
PubChem CID19016594
Molecular FormulaC24H30F3NO5
Molecular Weight469.50 g/mol
Exact Mass469.21
IUPAC Name3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCN1C(C)=C(C(=O)OCCOC)C(c2ccc(C(F)(F)F)cc2)C(C(=O)OC(C)C)=C1C
InChIInChI=1S/C24H30F3NO5/c1-7-28-15(4)19(22(29)32-13-12-31-6)21(20(16(28)5)23(30)33-14(2)3)17-8-10-18(11-9-17)24(25,26)27/h8-11,14,21H,7,12-13H2,1-6H3
InChIKeyQDNNNDTZHVZDEH-UHFFFAOYSA-N
XLogP4.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-O-(2-methoxyethyl) 5-O-propan-2-yl 4-(4-cyanophenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CID 19016588
3-O-(2-methoxyethyl) 5-O-propan-2-yl 4-(4-butylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylate
CID 166673279
dimethyl 1,2,6-trimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2167221
3-O-butyl 5-O-propan-2-yl 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922450
propan-2-yl 1-benzyl-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 46049386
propan-2-yl 4-methyl-2-oxo-3-propyl-6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42661560
5-O-ethyl 3-O-propan-2-yl 2-amino-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 58922405
propan-2-yl 6-methyl-1-[(2-methylphenyl)methyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 46049390
2-methoxyethyl 4-methyl-2-oxo-3-propyl-6-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 3978255
propan-2-yl 4-(4-tert-butylphenyl)-1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854790
ethyl (6R)-3-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93139506
3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate;yttrium
CID 161228370

Frequently Asked Questions

What is the IUPAC name of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate (CID 19016594) is 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate is CCN1C(C)=C(C(=O)OCCOC)C(c2ccc(C(F)(F)F)cc2)C(C(=O)OC(C)C)=C1C.
What is the InChIKey of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate?
The InChIKey is QDNNNDTZHVZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3NO5/c1-7-28-15(4)19(22(29)32-13-12-31-6)21(20(16(28)5)23(30)33-14(2)3)17-8-10-18(11-9-17)24(25,26)27/h8-11,14,21H,7,12-13H2,1-6H3.
What are the key properties of 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate?
3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate has a molecular weight of 469.50 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-(2-methoxyethyl) 5-O-propan-2-yl 1-ethyl-2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 19016594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).