diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate

C30H29NO4 — CID 138978052

IUPACdiethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=C(c2ccccc2)N(C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NO4/c1-4-34-28(32)25-21-26(29(33)35-5-2)30(23-17-11-7-12-18-23,24-19-13-8-14-20-24)31(3)27(25)22-15-9-6-10-16-22/h6-21H,4-5H2,1-3H3
InChIKeySFQDHNGHTYGVEW-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.34
Rot. Bonds7

About diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate

diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate (PubChem CID 138978052) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate
PubChem CID138978052
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Namediethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=C(c2ccccc2)N(C)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29NO4/c1-4-34-28(32)25-21-26(29(33)35-5-2)30(23-17-11-7-12-18-23,24-19-13-8-14-20-24)31(3)27(25)22-15-9-6-10-16-22/h6-21H,4-5H2,1-3H3
InChIKeySFQDHNGHTYGVEW-UHFFFAOYSA-N
XLogP5.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl (2R)-2,6-bis(4-fluorophenyl)-1-methyl-2-phenylpyridine-3,5-dicarboxylate
CID 138978054
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CID 174703430
ethyl (9bS)-5,5-dioxo-9b-phenyl-3H-pyrrolo[1,2-b][1,2]benzothiazole-1-carboxylate
CID 139182296
diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
CID 10784928
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
CID 100922090
CID 100922090
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
CID 158970570
CID 158970570
ethyl 1,5-diphenyl-2-(trifluoromethyl)pyrrole-3-carboxylate
CID 134834275
ethyl 5-methyl-2-phenyl-1-(trifluoromethylsulfonyl)-1-benzazepine-4-carboxylate
CID 122209879
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713

Frequently Asked Questions

What is the IUPAC name of diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate (CID 138978052) is diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate is CCOC(=O)C1=CC(C(=O)OCC)=C(c2ccccc2)N(C)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate?
The InChIKey is SFQDHNGHTYGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-4-34-28(32)25-21-26(29(33)35-5-2)30(23-17-11-7-12-18-23,24-19-13-8-14-20-24)31(3)27(25)22-15-9-6-10-16-22/h6-21H,4-5H2,1-3H3.
What are the key properties of diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate?
diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate has a molecular weight of 467.57 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-methyl-2,2,6-triphenylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 138978052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).