2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde

C20H20N2O3 — CID 123145353

IUPAC2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde
SMILESCC1CN(c2cnc(-c3cc4ccccc4o3)cc2C=O)CC(C)O1
InChIInChI=1S/C20H20N2O3/c1-13-10-22(11-14(2)24-13)18-9-21-17(7-16(18)12-23)20-8-15-5-3-4-6-19(15)25-20/h3-9,12-14H,10-11H2,1-2H3
InChIKeyHMVIPZGJQSESKX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.92
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde

2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde (PubChem CID 123145353) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde
PubChem CID123145353
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde
SMILESCC1CN(c2cnc(-c3cc4ccccc4o3)cc2C=O)CC(C)O1
InChIInChI=1S/C20H20N2O3/c1-13-10-22(11-14(2)24-13)18-9-21-17(7-16(18)12-23)20-8-15-5-3-4-6-19(15)25-20/h3-9,12-14H,10-11H2,1-2H3
InChIKeyHMVIPZGJQSESKX-UHFFFAOYSA-N
XLogP3.92
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.92
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 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde (CID 123145353) is 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde is CC1CN(c2cnc(-c3cc4ccccc4o3)cc2C=O)CC(C)O1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde?
The InChIKey is HMVIPZGJQSESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-22(11-14(2)24-13)18-9-21-17(7-16(18)12-23)20-8-15-5-3-4-6-19(15)25-20/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde?
2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde has a molecular weight of 336.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-(2,6-dimethylmorpholin-4-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 123145353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).