4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol

C17H23N3O — CID 750353

IUPAC4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol
SMILESCN(C)Cc1cc(CN(C)C)c(O)c(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-19(2)11-14-10-15(12-20(3)4)18-16(17(14)21)13-8-6-5-7-9-13/h5-10,21H,11-12H2,1-4H3
InChIKeyHCJHGDCFMSUTAV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds5

About 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol

4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol (PubChem CID 750353) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol.

Molecular Properties

Compound Name4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol
PubChem CID750353
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol
SMILESCN(C)Cc1cc(CN(C)C)c(O)c(-c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-19(2)11-14-10-15(12-20(3)4)18-16(17(14)21)13-8-6-5-7-9-13/h5-10,21H,11-12H2,1-4H3
InChIKeyHCJHGDCFMSUTAV-UHFFFAOYSA-N
XLogP2.58
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol?
The IUPAC name of 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol (CID 750353) is 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol.
What is the SMILES notation for 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol?
The canonical SMILES for 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol is CN(C)Cc1cc(CN(C)C)c(O)c(-c2ccccc2)n1.
What is the InChIKey of 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol?
The InChIKey is HCJHGDCFMSUTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)11-14-10-15(12-20(3)4)18-16(17(14)21)13-8-6-5-7-9-13/h5-10,21H,11-12H2,1-4H3.
What are the key properties of 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol?
4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol has a molecular weight of 285.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(dimethylamino)methyl]-2-phenylpyridin-3-ol is sourced from PubChem (CID 750353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).