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

C19H19NO5 — CID 58187271

IUPAC4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1cc(=O)oc2c1C(=O)N(OCc1ccccc1)C(=O)C2
InChIInChI=1S/C19H19NO5/c1-2-3-9-14-10-17(22)25-15-11-16(21)20(19(23)18(14)15)24-12-13-7-5-4-6-8-13/h4-8,10H,2-3,9,11-12H2,1H3
InChIKeyKUXQDWSXCVPWIQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.64
Rot. Bonds6

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

4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187271) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187271
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1cc(=O)oc2c1C(=O)N(OCc1ccccc1)C(=O)C2
InChIInChI=1S/C19H19NO5/c1-2-3-9-14-10-17(22)25-15-11-16(21)20(19(23)18(14)15)24-12-13-7-5-4-6-8-13/h4-8,10H,2-3,9,11-12H2,1H3
InChIKeyKUXQDWSXCVPWIQ-UHFFFAOYSA-N
XLogP2.64
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.64
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-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317137
4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317181
4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317188
4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317198
6-cyclobutyl-4-ethyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317218
benzyl N-[3-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)propyl]carbamate
CID 58317247
4-butyl-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317253
[[(E)-4-ethoxy-4-oxobut-2-enoyl]-pentylamino] benzoate
CID 89592647
Benzyl 7-oxo-7-[(7-oxo-7-phenylmethoxyheptanoyl)-phenylmethoxyamino]heptanoate
CID 89974465
Ethyl 2-[phenylmethoxy(phenylmethoxycarbonyl)carbamoyl]hexanoate
CID 153810680
[1-acetyloxy-3-[(2R,3R,5Z)-3-methyl-5-[(2E,4E)-6-methylocta-2,4-dienylidene]oxan-2-yl]-2-oxo-5-phenyl-4-pyridinyl] acetate
CID 11755895

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187271) is 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCc1cc(=O)oc2c1C(=O)N(OCc1ccccc1)C(=O)C2.
What is the InChIKey of 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is KUXQDWSXCVPWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-3-9-14-10-17(22)25-15-11-16(21)20(19(23)18(14)15)24-12-13-7-5-4-6-8-13/h4-8,10H,2-3,9,11-12H2,1H3.
What are the key properties of 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 341.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).