6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate

C17H19NO6 — CID 169410017

IUPAC6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate
SMILESCCOC(=O)C1=C(O)CCC(C(=O)OC)N1C(=O)c1ccccc1
InChIInChI=1S/C17H19NO6/c1-3-24-17(22)14-13(19)10-9-12(16(21)23-2)18(14)15(20)11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3
InChIKeySKQSPKUCEJSFCU-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.80
Rot. Bonds4

About 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate

6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate (PubChem CID 169410017) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate
PubChem CID169410017
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate
SMILESCCOC(=O)C1=C(O)CCC(C(=O)OC)N1C(=O)c1ccccc1
InChIInChI=1S/C17H19NO6/c1-3-24-17(22)14-13(19)10-9-12(16(21)23-2)18(14)15(20)11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3
InChIKeySKQSPKUCEJSFCU-UHFFFAOYSA-N
XLogP1.80
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate with MolForge

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Related Compounds

dimethyl (3S,6S)-1,2-dibenzoyldiazinane-3,6-dicarboxylate
CID 10341495
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ethyl 1-benzoylaziridine-2-carboxylate
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ethyl (4R)-3-benzoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate
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methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
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methyl (2S)-1-benzoyl-1-azaspiro[4.6]undecane-2-carboxylate
CID 102141683
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
CID 158970570
CID 158970570
methyl 4-amino-1-benzoylpyrrolidine-2-carboxylate;hydrochloride
CID 75088456
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
methyl (2R,5E)-1-benzyl-5-phenacylidenepyrrolidine-2-carboxylate
CID 11695711
dimethyl 1-[4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoyl]piperidine-2,4-dicarboxylate
CID 162666423

Frequently Asked Questions

What is the IUPAC name of 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate?
The IUPAC name of 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate (CID 169410017) is 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate.
What is the SMILES notation for 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate?
The canonical SMILES for 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate is CCOC(=O)C1=C(O)CCC(C(=O)OC)N1C(=O)c1ccccc1.
What is the InChIKey of 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate?
The InChIKey is SKQSPKUCEJSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-3-24-17(22)14-13(19)10-9-12(16(21)23-2)18(14)15(20)11-7-5-4-6-8-11/h4-8,12,19H,3,9-10H2,1-2H3.
What are the key properties of 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate?
6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate has a molecular weight of 333.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-ethyl 2-O-methyl 1-benzoyl-5-hydroxy-3,4-dihydro-2H-pyridine-2,6-dicarboxylate is sourced from PubChem (CID 169410017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).