5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

C16H24N2O3 — CID 129254356

IUPAC5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESCC(C)(C)c1cnc(OCCN2CCOCC2)cc1C=O
InChIInChI=1S/C16H24N2O3/c1-16(2,3)14-11-17-15(10-13(14)12-19)21-9-6-18-4-7-20-8-5-18/h10-12H,4-9H2,1-3H3
InChIKeyCNUFOFPYJHIOGQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.90
Rot. Bonds5

About 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (PubChem CID 129254356) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
PubChem CID129254356
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESCC(C)(C)c1cnc(OCCN2CCOCC2)cc1C=O
InChIInChI=1S/C16H24N2O3/c1-16(2,3)14-11-17-15(10-13(14)12-19)21-9-6-18-4-7-20-8-5-18/h10-12H,4-9H2,1-3H3
InChIKeyCNUFOFPYJHIOGQ-UHFFFAOYSA-N
XLogP1.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (CID 129254356) is 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is CC(C)(C)c1cnc(OCCN2CCOCC2)cc1C=O.
What is the InChIKey of 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The InChIKey is CNUFOFPYJHIOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)14-11-17-15(10-13(14)12-19)21-9-6-18-4-7-20-8-5-18/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde has a molecular weight of 292.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 129254356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).