4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C19H17NO5 — CID 58187502

IUPAC4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccc(C)cc1)C(=O)C2
InChIInChI=1S/C19H17NO5/c1-3-12-8-17(23)25-15-9-16(22)20(19(24)18(12)15)10-14(21)13-6-4-11(2)5-7-13/h4-8H,3,9-10H2,1-2H3
InChIKeyKOYZATZRVKMDLJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.92
Rot. Bonds4

About 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187502) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187502
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccc(C)cc1)C(=O)C2
InChIInChI=1S/C19H17NO5/c1-3-12-8-17(23)25-15-9-16(22)20(19(24)18(12)15)10-14(21)13-6-4-11(2)5-7-13/h4-8H,3,9-10H2,1-2H3
InChIKeyKOYZATZRVKMDLJ-UHFFFAOYSA-N
XLogP1.92
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.92
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

Ethyl 4-[(4-acetylphenyl)methyl]-1-benzyl-5-ethyl-5-methyl-2-oxopyrrole-3-carboxylate
CID 134971309
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-1-(methoxymethyl)-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304854
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
5-ethyl-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 58187387
4-ethyl-6-phenacyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317109
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-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187502) is 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCc1cc(=O)oc2c1C(=O)N(CC(=O)c1ccc(C)cc1)C(=O)C2.
What is the InChIKey of 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is KOYZATZRVKMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-3-12-8-17(23)25-15-9-16(22)20(19(24)18(12)15)10-14(21)13-6-4-11(2)5-7-13/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 339.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).