2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol

C17H23N3O — CID 71968000

IUPAC2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(NCc2nc(C)ccc2O)c(CN(C)C)c1
InChIInChI=1S/C17H23N3O/c1-12-5-7-15(14(9-12)11-20(3)4)18-10-16-17(21)8-6-13(2)19-16/h5-9,18,21H,10-11H2,1-4H3
InChIKeyZIYORCWQMPVNAO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds5

About 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol

2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol (PubChem CID 71968000) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol
PubChem CID71968000
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(NCc2nc(C)ccc2O)c(CN(C)C)c1
InChIInChI=1S/C17H23N3O/c1-12-5-7-15(14(9-12)11-20(3)4)18-10-16-17(21)8-6-13(2)19-16/h5-9,18,21H,10-11H2,1-4H3
InChIKeyZIYORCWQMPVNAO-UHFFFAOYSA-N
XLogP3.08
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-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 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol (CID 71968000) is 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol is Cc1ccc(NCc2nc(C)ccc2O)c(CN(C)C)c1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol?
The InChIKey is ZIYORCWQMPVNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-7-15(14(9-12)11-20(3)4)18-10-16-17(21)8-6-13(2)19-16/h5-9,18,21H,10-11H2,1-4H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol?
2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol has a molecular weight of 285.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]-4-methylanilino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 71968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).