4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride

C18H26ClN3O — CID 6603139

IUPAC4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride
SMILESCc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-6-8-14(9-7-13)17-18(22)15(11-20(2)3)10-16(19-17)12-21(4)5;/h6-10,22H,11-12H2,1-5H3;1H
InChIKeyOYBFTPCLUKANFK-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.31
Rot. Bonds5

About 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride

4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride (PubChem CID 6603139) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride
PubChem CID6603139
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride
SMILESCc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-6-8-14(9-7-13)17-18(22)15(11-20(2)3)10-16(19-17)12-21(4)5;/h6-10,22H,11-12H2,1-5H3;1H
InChIKeyOYBFTPCLUKANFK-UHFFFAOYSA-N
XLogP3.31
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.31
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-(4-methylphenyl)pyridin-3-ol;hydrochloride?
The IUPAC name of 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride (CID 6603139) is 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride is Cc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1.Cl.
What is the InChIKey of 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride?
The InChIKey is OYBFTPCLUKANFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-13-6-8-14(9-7-13)17-18(22)15(11-20(2)3)10-16(19-17)12-21(4)5;/h6-10,22H,11-12H2,1-5H3;1H.
What are the key properties of 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride?
4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.31, 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-(4-methylphenyl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 6603139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).