4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C18H15NO5 — CID 58317109

IUPAC4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccccc1)C(=O)C2
InChIInChI=1S/C18H15NO5/c1-2-11-8-16(22)24-14-9-15(21)19(18(23)17(11)14)10-13(20)12-6-4-3-5-7-12/h3-8H,2,9-10H2,1H3
InChIKeyADXXLYBHVZMXMO-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.61
Rot. Bonds4

About 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317109) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317109
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccccc1)C(=O)C2
InChIInChI=1S/C18H15NO5/c1-2-11-8-16(22)24-14-9-15(21)19(18(23)17(11)14)10-13(20)12-6-4-3-5-7-12/h3-8H,2,9-10H2,1H3
InChIKeyADXXLYBHVZMXMO-UHFFFAOYSA-N
XLogP1.61
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-6-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317210
4-ethyl-6-[2-(3-fluorophenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317254
5-ethyl-3-phenacyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 15605430
3-ethoxycarbonyl-1-benzoyl-4H-quinolizin-4-one
CID 15632074
Ethyl 1-benzoyl-7-butoxy-4-oxoquinolizine-3-carboxylate
CID 20183642
Ethyl 4-chloro-6-methyl-2-oxo-1-phenacylpyridine-3-carboxylate
CID 57860186
Ethyl 4-chloro-2-oxo-1-phenacyl-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 57860265
Ethyl 4-chloro-2-oxo-1-phenacyl-6-propylpyridine-3-carboxylate
CID 57860413
Ethyl 4-chloro-6-ethyl-2-oxo-1-(2-oxo-2-phenylethyl)-1,2-dihydropyridine-3-carboxylate
CID 57860581
4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187502
1,5-Diethyl-3-phenacylpyrano[2,3-d]pyrimidine-2,4,7-trione
CID 58317165
4-[2-(4-ethyl-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-6-yl)acetyl]benzonitrile
CID 58317217

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317109) is 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccccc1)C(=O)C2.
What is the InChIKey of 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is ADXXLYBHVZMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-2-11-8-16(22)24-14-9-15(21)19(18(23)17(11)14)10-13(20)12-6-4-3-5-7-12/h3-8H,2,9-10H2,1H3.
What are the key properties of 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 325.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).