5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate

C20H23NO4 — CID 10569216

IUPAC5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate
SMILESCCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
InChIInChI=1S/C20H23NO4/c1-5-12-25-19(22)16-13(3)17(20(23)24-6-2)18(21-14(16)4)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3
InChIKeyNJVVWEKRJFKPOP-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.11
Rot. Bonds6

About 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate

5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate (PubChem CID 10569216) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate
PubChem CID10569216
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate
SMILESCCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C
InChIInChI=1S/C20H23NO4/c1-5-12-25-19(22)16-13(3)17(20(23)24-6-2)18(21-14(16)4)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3
InChIKeyNJVVWEKRJFKPOP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate (CID 10569216) is 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate is CCCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCC)c1C.
What is the InChIKey of 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate?
The InChIKey is NJVVWEKRJFKPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-12-25-19(22)16-13(3)17(20(23)24-6-2)18(21-14(16)4)15-10-8-7-9-11-15/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate?
5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 3-O-propyl 2,4-dimethyl-6-phenylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 10569216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).