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

C17H21NO5 — CID 58317010

IUPAC4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCOC3CCCCC3)c2C(=O)N1
InChIInChI=1S/C17H21NO5/c19-14-10-13-16(17(21)18-14)11(9-15(20)23-13)5-4-8-22-12-6-2-1-3-7-12/h9,12H,1-8,10H2,(H,18,19,21)
InChIKeyXITOOFARVCNFRK-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.73
Rot. Bonds5

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

4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317010) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317010
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCOC3CCCCC3)c2C(=O)N1
InChIInChI=1S/C17H21NO5/c19-14-10-13-16(17(21)18-14)11(9-15(20)23-13)5-4-8-22-12-6-2-1-3-7-12/h9,12H,1-8,10H2,(H,18,19,21)
InChIKeyXITOOFARVCNFRK-UHFFFAOYSA-N
XLogP1.73
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
5-(3-cyclopentyloxypropyl)-4a,8a-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304879
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
1-(3-cyclohexyloxypropyl)-4-methylbenzene
CID 59931440
5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
CID 58187634
5-amino-6-(2-cyclopentyloxyethylamino)-1,3-dihydroindol-2-one
CID 63826182
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide
CID 166266578

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317010) is 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCOC3CCCCC3)c2C(=O)N1.
What is the InChIKey of 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is XITOOFARVCNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c19-14-10-13-16(17(21)18-14)11(9-15(20)23-13)5-4-8-22-12-6-2-1-3-7-12/h9,12H,1-8,10H2,(H,18,19,21).
What are the key properties of 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 319.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).