3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one

C12H12N2O4 — CID 57080596

IUPAC3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one
SMILESCOc1ccc(Oc2[nH]ccc(=O)c2OC)cn1
InChIInChI=1S/C12H12N2O4/c1-16-10-4-3-8(7-14-10)18-12-11(17-2)9(15)5-6-13-12/h3-7H,1-2H3,(H,13,15)
InChIKeyFURNMFCMSJSMTB-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.58
Rot. Bonds4

About 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one

3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one (PubChem CID 57080596) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one
PubChem CID57080596
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one
SMILESCOc1ccc(Oc2[nH]ccc(=O)c2OC)cn1
InChIInChI=1S/C12H12N2O4/c1-16-10-4-3-8(7-14-10)18-12-11(17-2)9(15)5-6-13-12/h3-7H,1-2H3,(H,13,15)
InChIKeyFURNMFCMSJSMTB-UHFFFAOYSA-N
XLogP1.58
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one 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 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one (CID 57080596) is 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one is COc1ccc(Oc2[nH]ccc(=O)c2OC)cn1.
What is the InChIKey of 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one?
The InChIKey is FURNMFCMSJSMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-16-10-4-3-8(7-14-10)18-12-11(17-2)9(15)5-6-13-12/h3-7H,1-2H3,(H,13,15).
What are the key properties of 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one?
3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one has a molecular weight of 248.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(6-methoxy-3-pyridinyl)oxy]-1H-pyridin-4-one is sourced from PubChem (CID 57080596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).