propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate

C20H23NO4 — CID 165153406

IUPACpropan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(-c2ccc(OC3CCCCO3)cc2)n1
InChIInChI=1S/C20H23NO4/c1-14(2)24-20(22)18-7-5-6-17(21-18)15-9-11-16(12-10-15)25-19-8-3-4-13-23-19/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3
InChIKeyITGPYXVZOUTDFF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.22
Rot. Bonds5

About propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate

propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate (PubChem CID 165153406) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate
PubChem CID165153406
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cccc(-c2ccc(OC3CCCCO3)cc2)n1
InChIInChI=1S/C20H23NO4/c1-14(2)24-20(22)18-7-5-6-17(21-18)15-9-11-16(12-10-15)25-19-8-3-4-13-23-19/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3
InChIKeyITGPYXVZOUTDFF-UHFFFAOYSA-N
XLogP4.22
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-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 propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate (CID 165153406) is propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate is CC(C)OC(=O)c1cccc(-c2ccc(OC3CCCCO3)cc2)n1.
What is the InChIKey of propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate?
The InChIKey is ITGPYXVZOUTDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)24-20(22)18-7-5-6-17(21-18)15-9-11-16(12-10-15)25-19-8-3-4-13-23-19/h5-7,9-12,14,19H,3-4,8,13H2,1-2H3.
What are the key properties of propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate?
propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 165153406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).