5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

C23H36N2O5 — CID 90434266

IUPAC5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESCCC(C)(O)C1CCCCC1COc1cnc(OCCN2CCOCC2)cc1C=O
InChIInChI=1S/C23H36N2O5/c1-3-23(2,27)20-7-5-4-6-18(20)17-30-21-15-24-22(14-19(21)16-26)29-13-10-25-8-11-28-12-9-25/h14-16,18,20,27H,3-13,17H2,1-2H3
InChIKeyLTSXAGRHKRIZRE-UHFFFAOYSA-N
MW420.55 g/mol
LogP2.95
Rot. Bonds10

About 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (PubChem CID 90434266) has the molecular formula C23H36N2O5 and a molecular weight of 420.55 g/mol. Its IUPAC name is 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
PubChem CID90434266
Molecular FormulaC23H36N2O5
Molecular Weight420.55 g/mol
Exact Mass420.26
IUPAC Name5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESCCC(C)(O)C1CCCCC1COc1cnc(OCCN2CCOCC2)cc1C=O
InChIInChI=1S/C23H36N2O5/c1-3-23(2,27)20-7-5-4-6-18(20)17-30-21-15-24-22(14-19(21)16-26)29-13-10-25-8-11-28-12-9-25/h14-16,18,20,27H,3-13,17H2,1-2H3
InChIKeyLTSXAGRHKRIZRE-UHFFFAOYSA-N
XLogP2.95
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434135
5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 118867797
5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 129254356
5-[(5-methyl-5,6,6a,7,8,9,10,10a-octahydropyrazolo[5,1-a]isoquinolin-6-yl)oxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 123583902
3-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 90428188
2-(2-morpholin-4-ylethoxy)-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 118867840
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
CID 71420401
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 90434078
5-hydroxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 89110267
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (CID 90434266) is 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is CCC(C)(O)C1CCCCC1COc1cnc(OCCN2CCOCC2)cc1C=O.
What is the InChIKey of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The InChIKey is LTSXAGRHKRIZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O5/c1-3-23(2,27)20-7-5-4-6-18(20)17-30-21-15-24-22(14-19(21)16-26)29-13-10-25-8-11-28-12-9-25/h14-16,18,20,27H,3-13,17H2,1-2H3.
What are the key properties of 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde has a molecular weight of 420.55 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 90434266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).