3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

C19H23NO5 — CID 71606466

IUPAC3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(O)C(C)=C(C(=O)OC(C)C)C1c1ccccc1
InChIInChI=1S/C19H23NO5/c1-11(2)25-19(22)16-13(4)20(23)12(3)15(18(21)24-5)17(16)14-9-7-6-8-10-14/h6-11,17,23H,1-5H3
InChIKeyWSNKFOGCHUCDBQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.15
Rot. Bonds4

About 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate

3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 71606466) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
PubChem CID71606466
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)N(O)C(C)=C(C(=O)OC(C)C)C1c1ccccc1
InChIInChI=1S/C19H23NO5/c1-11(2)25-19(22)16-13(4)20(23)12(3)15(18(21)24-5)17(16)14-9-7-6-8-10-14/h6-11,17,23H,1-5H3
InChIKeyWSNKFOGCHUCDBQ-UHFFFAOYSA-N
XLogP3.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate (CID 71606466) is 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is COC(=O)C1=C(C)N(O)C(C)=C(C(=O)OC(C)C)C1c1ccccc1.
What is the InChIKey of 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is WSNKFOGCHUCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-11(2)25-19(22)16-13(4)20(23)12(3)15(18(21)24-5)17(16)14-9-7-6-8-10-14/h6-11,17,23H,1-5H3.
What are the key properties of 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate?
3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 345.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 71606466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).