3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol

C20H28N2O6 — CID 163216963

IUPAC3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol
SMILESCOc1cc(-c2c(CCCO)c(OC)nc(OC)c2CCCO)cc(OC)n1
InChIInChI=1S/C20H28N2O6/c1-25-16-11-13(12-17(21-16)26-2)18-14(7-5-9-23)19(27-3)22-20(28-4)15(18)8-6-10-24/h11-12,23-24H,5-10H2,1-4H3
InChIKeyHKSARHDRHOOTDX-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.03
Rot. Bonds11

About 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol

3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol (PubChem CID 163216963) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol
PubChem CID163216963
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol
SMILESCOc1cc(-c2c(CCCO)c(OC)nc(OC)c2CCCO)cc(OC)n1
InChIInChI=1S/C20H28N2O6/c1-25-16-11-13(12-17(21-16)26-2)18-14(7-5-9-23)19(27-3)22-20(28-4)15(18)8-6-10-24/h11-12,23-24H,5-10H2,1-4H3
InChIKeyHKSARHDRHOOTDX-UHFFFAOYSA-N
XLogP2.03
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol 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-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol (CID 163216963) is 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol is COc1cc(-c2c(CCCO)c(OC)nc(OC)c2CCCO)cc(OC)n1.
What is the InChIKey of 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol?
The InChIKey is HKSARHDRHOOTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-25-16-11-13(12-17(21-16)26-2)18-14(7-5-9-23)19(27-3)22-20(28-4)15(18)8-6-10-24/h11-12,23-24H,5-10H2,1-4H3.
What are the key properties of 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol?
3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol has a molecular weight of 392.45 g/mol, XLogP of 2.03, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dimethoxy-4-pyridinyl)-5-(3-hydroxypropyl)-2,6-dimethoxy-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 163216963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).