4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C16H22N2O3 — CID 116686366

IUPAC4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cc(C(C)NCc2c(CO)cnc(C)c2O)c(C)o1
InChIInChI=1S/C16H22N2O3/c1-9-5-14(12(4)21-9)10(2)18-7-15-13(8-19)6-17-11(3)16(15)20/h5-6,10,18-20H,7-8H2,1-4H3
InChIKeyVGVNNYBGKCFGPJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.65
Rot. Bonds5

About 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 116686366) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID116686366
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1cc(C(C)NCc2c(CO)cnc(C)c2O)c(C)o1
InChIInChI=1S/C16H22N2O3/c1-9-5-14(12(4)21-9)10(2)18-7-15-13(8-19)6-17-11(3)16(15)20/h5-6,10,18-20H,7-8H2,1-4H3
InChIKeyVGVNNYBGKCFGPJ-UHFFFAOYSA-N
XLogP2.65
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-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 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 116686366) is 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1cc(C(C)NCc2c(CO)cnc(C)c2O)c(C)o1.
What is the InChIKey of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is VGVNNYBGKCFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-5-14(12(4)21-9)10(2)18-7-15-13(8-19)6-17-11(3)16(15)20/h5-6,10,18-20H,7-8H2,1-4H3.
What are the key properties of 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 290.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 116686366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).