ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate

C18H19NO4 — CID 58859917

IUPACethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1C(=O)c2ccoc2N(Cc2ccccc2)C1C
InChIInChI=1S/C18H19NO4/c1-3-22-18(21)15-12(2)19(11-13-7-5-4-6-8-13)17-14(16(15)20)9-10-23-17/h4-10,12,15H,3,11H2,1-2H3
InChIKeyDJPWHBJCZPNBGB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds4

About ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate

ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate (PubChem CID 58859917) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
PubChem CID58859917
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1C(=O)c2ccoc2N(Cc2ccccc2)C1C
InChIInChI=1S/C18H19NO4/c1-3-22-18(21)15-12(2)19(11-13-7-5-4-6-8-13)17-14(16(15)20)9-10-23-17/h4-10,12,15H,3,11H2,1-2H3
InChIKeyDJPWHBJCZPNBGB-UHFFFAOYSA-N
XLogP3.05
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819
ethyl (2S,3R)-1-benzyl-4-oxo-2-phenylpyrrolidine-3-carboxylate
CID 101118480
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
ethyl (4S,5S)-1-benzyl-2-methyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
CID 70999194
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
ethyl (1S,2R,3R)-2-benzoyl-3-(furan-2-carbonyl)cyclopropane-1-carboxylate
CID 102387076
ethyl 1-benzyl-3-cyclohexyl-4-oxoazetidine-2-carboxylate
CID 101373236
ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
CID 11780817
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 102275849
ethyl (3S,4S)-1-benzyl-2-oxo-4-phenyl-3-phenylsulfanylazetidine-3-carboxylate
CID 11538952

Frequently Asked Questions

What is the IUPAC name of ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate (CID 58859917) is ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate is CCOC(=O)C1C(=O)c2ccoc2N(Cc2ccccc2)C1C.
What is the InChIKey of ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
The InChIKey is DJPWHBJCZPNBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-22-18(21)15-12(2)19(11-13-7-5-4-6-8-13)17-14(16(15)20)9-10-23-17/h4-10,12,15H,3,11H2,1-2H3.
What are the key properties of ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate?
ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-benzyl-6-methyl-4-oxo-5,6-dihydrofuro[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 58859917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).