diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate

C20H23NO4 — CID 10688603

IUPACdiethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
InChIInChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)21-18(14-11-9-8-10-12-14)17(15)20(23)25-7-3/h8-12H,5-7H2,1-4H3
InChIKeyUWAQMGMZQGUHOO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.97
Rot. Bonds6

About diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate

diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate (PubChem CID 10688603) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
PubChem CID10688603
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namediethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC
InChIInChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)21-18(14-11-9-8-10-12-14)17(15)20(23)25-7-3/h8-12H,5-7H2,1-4H3
InChIKeyUWAQMGMZQGUHOO-UHFFFAOYSA-N
XLogP3.97
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dehydronifedipine
CID 128753
Dehydrofelodipine
CID 62970
Dehydro nimodipine
CID 529928
2-Methyl-6-phenylpyridine-3-carboxylic acid
CID 822960
Diethyl 2,6-dimethylpyridine-3,5-dicarboxylate
CID 245983
Mrs-1523
CID 3661570
Diethyl 2,6-Dimethyl-4-Phenylpyridine-3,5-Dicarboxylate
CID 629929
3-Ethyl 5-methyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate
CID 14271877
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
2-Methylquinoline-3-carboxylic acid ethyl ester
CID 647634
Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 529924
Mrs1505
CID 9802941

Frequently Asked Questions

What is the IUPAC name of diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate (CID 10688603) is diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1CC.
What is the InChIKey of diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate?
The InChIKey is UWAQMGMZQGUHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-15-16(19(22)24-6-2)13(4)21-18(14-11-9-8-10-12-14)17(15)20(23)25-7-3/h8-12H,5-7H2,1-4H3.
What are the key properties of diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate?
diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-ethyl-2-methyl-6-phenylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 10688603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).