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

C18H13NO4 — CID 58317159

IUPAC4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1c2c(oc(=O)c1C#Cc1ccccc1)CC(=O)NC2=O
InChIInChI=1S/C18H13NO4/c1-2-12-13(9-8-11-6-4-3-5-7-11)18(22)23-14-10-15(20)19-17(21)16(12)14/h3-7H,2,10H2,1H3,(H,19,20,21)
InChIKeyPZVVZVVVSIQTMY-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.41
Rot. Bonds1

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

4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317159) has the molecular formula C18H13NO4 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317159
Molecular FormulaC18H13NO4
Molecular Weight307.30 g/mol
Exact Mass307.08
IUPAC Name4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCc1c2c(oc(=O)c1C#Cc1ccccc1)CC(=O)NC2=O
InChIInChI=1S/C18H13NO4/c1-2-12-13(9-8-11-6-4-3-5-7-11)18(22)23-14-10-15(20)19-17(21)16(12)14/h3-7H,2,10H2,1H3,(H,19,20,21)
InChIKeyPZVVZVVVSIQTMY-UHFFFAOYSA-N
XLogP1.41
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(2-fluorophenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317021
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187432
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317011
4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317032
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
4-[[4-(4-methylphenyl)phenyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317129
3-[(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)methyl]benzonitrile
CID 58317133
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317137
4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317198

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317159) is 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCc1c2c(oc(=O)c1C#Cc1ccccc1)CC(=O)NC2=O.
What is the InChIKey of 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is PZVVZVVVSIQTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-2-12-13(9-8-11-6-4-3-5-7-11)18(22)23-14-10-15(20)19-17(21)16(12)14/h3-7H,2,10H2,1H3,(H,19,20,21).
What are the key properties of 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 307.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).