(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate

C22H20N2O4 — CID 2811307

IUPAC(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate
SMILESO=C(Oc1ccccc1N1CCOCC1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-22(18-9-6-12-23-21(18)27-17-7-2-1-3-8-17)28-20-11-5-4-10-19(20)24-13-15-26-16-14-24/h1-12H,13-16H2
InChIKeyDVLDTKIAPBUWOD-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.93
Rot. Bonds5

About (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate

(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate (PubChem CID 2811307) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate
PubChem CID2811307
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate
SMILESO=C(Oc1ccccc1N1CCOCC1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-22(18-9-6-12-23-21(18)27-17-7-2-1-3-8-17)28-20-11-5-4-10-19(20)24-13-15-26-16-14-24/h1-12H,13-16H2
InChIKeyDVLDTKIAPBUWOD-UHFFFAOYSA-N
XLogP3.93
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate?
The IUPAC name of (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate (CID 2811307) is (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate is O=C(Oc1ccccc1N1CCOCC1)c1cccnc1Oc1ccccc1.
What is the InChIKey of (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate?
The InChIKey is DVLDTKIAPBUWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-22(18-9-6-12-23-21(18)27-17-7-2-1-3-8-17)28-20-11-5-4-10-19(20)24-13-15-26-16-14-24/h1-12H,13-16H2.
What are the key properties of (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate?
(2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylphenyl) 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 2811307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).