5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate

C19H21NO5 — CID 23352074

IUPAC5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate
SMILESCCCc1[nH]c(=O)c(C(=O)OC)c(-c2ccccc2)c1C(=O)OCC
InChIInChI=1S/C19H21NO5/c1-4-9-13-15(19(23)25-5-2)14(12-10-7-6-8-11-12)16(17(21)20-13)18(22)24-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyDLMMHLGWMKWETL-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.96
Rot. Bonds6

About 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate

5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate (PubChem CID 23352074) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate
PubChem CID23352074
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate
SMILESCCCc1[nH]c(=O)c(C(=O)OC)c(-c2ccccc2)c1C(=O)OCC
InChIInChI=1S/C19H21NO5/c1-4-9-13-15(19(23)25-5-2)14(12-10-7-6-8-11-12)16(17(21)20-13)18(22)24-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyDLMMHLGWMKWETL-UHFFFAOYSA-N
XLogP2.96
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ST061321
CID 2864982
ethyl 3-carbamoyl-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 659057
Ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate
CID 5309566
ethyl 6-benzyl-4-(2-methylcyclohexoxy)-2-oxo-1H-pyridine-3-carboxylate
CID 71655208
ethyl 5-cyano-2-methyl-4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 127048145
ethyl 5-cyano-4-(4-cyanophenyl)-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 127048146
1,6-Dihydropyridine-3-carboxylic acid, 5-cyano-2-ethyl-6-oxo-4-phenyl-, methyl ester
CID 624596
Ethyl 5-cyano-2-methyl-6-oxo-4-phenyl-1,6-dihydropyridine-3-carboxylate
CID 12733237
ethyl 2-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxylate
CID 70690900
ethyl 6-benzyl-4-(cycloheptoxy)-2-oxo-1H-pyridine-3-carboxylate
CID 71655206
ethyl 4-(2-methylcyclohexoxy)-2-oxo-6-phenethyl-1H-pyridine-3-carboxylate
CID 53303924
ethyl 5-benzyl-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 70688817

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate (CID 23352074) is 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate is CCCc1[nH]c(=O)c(C(=O)OC)c(-c2ccccc2)c1C(=O)OCC.
What is the InChIKey of 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate?
The InChIKey is DLMMHLGWMKWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-9-13-15(19(23)25-5-2)14(12-10-7-6-8-11-12)16(17(21)20-13)18(22)24-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,21).
What are the key properties of 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate?
5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 3-O-methyl 2-oxo-4-phenyl-6-propyl-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 23352074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).