4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C23H18N2O7 — CID 123475788

IUPAC4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1C=C(O)CC(=O)N1.O=C1Cc2oc(=O)cc(CCC#Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/C18H13NO4.C5H5NO3/c20-15-11-14-17(18(22)19-15)13(10-16(21)23-14)9-5-4-8-12-6-2-1-3-7-12;7-3-1-4(8)6-5(9)2-3/h1-3,6-7,10H,5,9,11H2,(H,19,20,22);1,7H,2H2,(H,6,8,9)
InChIKeyAXZAOYGNDCWZPJ-UHFFFAOYSA-N
MW434.40 g/mol
LogP0.91
Rot. Bonds2

About 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 123475788) has the molecular formula C23H18N2O7 and a molecular weight of 434.40 g/mol. Its IUPAC name is 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID123475788
Molecular FormulaC23H18N2O7
Molecular Weight434.40 g/mol
Exact Mass434.11
IUPAC Name4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1C=C(O)CC(=O)N1.O=C1Cc2oc(=O)cc(CCC#Cc3ccccc3)c2C(=O)N1
InChIInChI=1S/C18H13NO4.C5H5NO3/c20-15-11-14-17(18(22)19-15)13(10-16(21)23-14)9-5-4-8-12-6-2-1-3-7-12;7-3-1-4(8)6-5(9)2-3/h1-3,6-7,10H,5,9,11H2,(H,19,20,22);1,7H,2H2,(H,6,8,9)
InChIKeyAXZAOYGNDCWZPJ-UHFFFAOYSA-N
XLogP0.91
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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-[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-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317159
4-ethyl-3-iodo-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
CID 123225855
4-but-3-ynyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione;4-hydroxy-3H-pyridine-2,6-dione;methyl 3-oxohept-6-ynoate;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 159561054
4-ethyl-3-iodo-8H-pyrano[3,2-c]pyridine-2,5,7-trione;bis(4-ethyl-3-(2-phenylethynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione)
CID 160113503

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 123475788) is 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1C=C(O)CC(=O)N1.O=C1Cc2oc(=O)cc(CCC#Cc3ccccc3)c2C(=O)N1.
What is the InChIKey of 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is AXZAOYGNDCWZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4.C5H5NO3/c20-15-11-14-17(18(22)19-15)13(10-16(21)23-14)9-5-4-8-12-6-2-1-3-7-12;7-3-1-4(8)6-5(9)2-3/h1-3,6-7,10H,5,9,11H2,(H,19,20,22);1,7H,2H2,(H,6,8,9).
What are the key properties of 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 434.40 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3H-pyridine-2,6-dione;4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 123475788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).