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

C13H18N4O2 — CID 116686535

IUPAC5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCCc2ncc[nH]2)c1O
InChIInChI=1S/C13H18N4O2/c1-9-13(19)11(10(8-18)6-17-9)7-14-3-2-12-15-4-5-16-12/h4-6,14,18-19H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyJVWAEXXWUUVECF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.64
Rot. Bonds6

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

5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol (PubChem CID 116686535) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol
PubChem CID116686535
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCCc2ncc[nH]2)c1O
InChIInChI=1S/C13H18N4O2/c1-9-13(19)11(10(8-18)6-17-9)7-14-3-2-12-15-4-5-16-12/h4-6,14,18-19H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyJVWAEXXWUUVECF-UHFFFAOYSA-N
XLogP0.64
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-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 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol (CID 116686535) is 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNCCc2ncc[nH]2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol?
The InChIKey is JVWAEXXWUUVECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-13(19)11(10(8-18)6-17-9)7-14-3-2-12-15-4-5-16-12/h4-6,14,18-19H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol?
5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol has a molecular weight of 262.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[2-(1H-imidazol-2-yl)ethylamino]methyl]-2-methylpyridin-3-ol is sourced from PubChem (CID 116686535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).