diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate

C20H23NO5 — CID 44551349

IUPACdiethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(c2ccccc2)C(C)=C(C(C)=O)C1
InChIInChI=1S/C20H23NO5/c1-5-25-19(23)17-12-16(14(4)22)13(3)21(15-10-8-7-9-11-15)18(17)20(24)26-6-2/h7-11H,5-6,12H2,1-4H3
InChIKeyINIUJZZOUKOZET-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.14
Rot. Bonds6

About diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate

diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 44551349) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID44551349
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namediethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(c2ccccc2)C(C)=C(C(C)=O)C1
InChIInChI=1S/C20H23NO5/c1-5-25-19(23)17-12-16(14(4)22)13(3)21(15-10-8-7-9-11-15)18(17)20(24)26-6-2/h7-11H,5-6,12H2,1-4H3
InChIKeyINIUJZZOUKOZET-UHFFFAOYSA-N
XLogP3.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 5-acetyl-1-benzyl-6-methyl-4H-pyridine-2,3-dicarboxylate
CID 44549822
diethyl 5-acetyl-1-(4-bromophenyl)-6-methyl-4H-pyridine-2,3-dicarboxylate
CID 44551352
diethyl 5-acetyl-1-(4-fluorophenyl)-6-methyl-4H-pyridine-2,3-dicarboxylate
CID 44551350
Diethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515589
Diethyl 1-(2-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515606
Diethyl 1-(3-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3,5-dicarboxylate
CID 21515614
Triethyl 1-(4-fluorophenyl)-4-oxopyridine-2,3,5-tricarboxylate
CID 175187428
Triethyl 1-(3,4-difluorophenyl)-4-oxopyridine-2,3,5-tricarboxylate
CID 175188234
triethyl 6-methyl-1-phenyl-4H-pyridine-2,3,5-tricarboxylate
CID 44551535
Diethyl 1-phenylazepine-2,3-dicarboxylate
CID 101802124
ethyl 2-(N-methylanilino)-5-oxocyclopentene-1-carboxylate
CID 134924827
ethyl 2-butyl-6-oxo-3-phenyl-2H-1,3-oxazine-4-carboxylate
CID 135009810

Frequently Asked Questions

What is the IUPAC name of diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate (CID 44551349) is diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)N(c2ccccc2)C(C)=C(C(C)=O)C1.
What is the InChIKey of diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is INIUJZZOUKOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-5-25-19(23)17-12-16(14(4)22)13(3)21(15-10-8-7-9-11-15)18(17)20(24)26-6-2/h7-11H,5-6,12H2,1-4H3.
What are the key properties of diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate?
diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-acetyl-6-methyl-1-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 44551349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).