4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C19H13NO4 — CID 58317112

IUPAC4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(Cc3cccc4ccccc34)c2C(=O)N1
InChIInChI=1S/C19H13NO4/c21-16-10-15-18(19(23)20-16)13(9-17(22)24-15)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9H,8,10H2,(H,20,21,23)
InChIKeyPKUOBRNIPKQTJO-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.20
Rot. Bonds2

About 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317112) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317112
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(Cc3cccc4ccccc34)c2C(=O)N1
InChIInChI=1S/C19H13NO4/c21-16-10-15-18(19(23)20-16)13(9-17(22)24-15)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9H,8,10H2,(H,20,21,23)
InChIKeyPKUOBRNIPKQTJO-UHFFFAOYSA-N
XLogP2.20
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', '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-[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-(2,3-dihydro-1H-inden-2-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317207
5-(naphthalen-1-ylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304752

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317112) is 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(Cc3cccc4ccccc34)c2C(=O)N1.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is PKUOBRNIPKQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-16-10-15-18(19(23)20-16)13(9-17(22)24-15)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,9H,8,10H2,(H,20,21,23).
What are the key properties of 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 319.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).