4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C22H23NO5 — CID 58317188

IUPAC4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3(COCc4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C22H23NO5/c24-18-12-17-20(21(26)23-18)16(11-19(25)28-17)7-4-8-22(9-10-22)14-27-13-15-5-2-1-3-6-15/h1-3,5-6,11H,4,7-10,12-14H2,(H,23,24,26)
InChIKeyIMOFIQZLEDIOLE-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.77
Rot. Bonds8

About 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317188) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317188
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC3(COCc4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C22H23NO5/c24-18-12-17-20(21(26)23-18)16(11-19(25)28-17)7-4-8-22(9-10-22)14-27-13-15-5-2-1-3-6-15/h1-3,5-6,11H,4,7-10,12-14H2,(H,23,24,26)
InChIKeyIMOFIQZLEDIOLE-UHFFFAOYSA-N
XLogP2.77
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclobutylethyl)-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317075
4-butyl-3-(4-fluorophenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317202
4-butyl-6-phenylmethoxy-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187271
7-methylidene-4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187363
4-[3-(1-phenylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317011
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate
CID 58317082
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-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317198
4-(2-cyclobutylethyl)-3-(4-methylphenyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317200
benzyl 3-[(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 58317204

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317188) is 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC3(COCc4ccccc4)CC3)c2C(=O)N1.
What is the InChIKey of 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is IMOFIQZLEDIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c24-18-12-17-20(21(26)23-18)16(11-19(25)28-17)7-4-8-22(9-10-22)14-27-13-15-5-2-1-3-6-15/h1-3,5-6,11H,4,7-10,12-14H2,(H,23,24,26).
What are the key properties of 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 381.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).