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

C18H25N3O — CID 655225

IUPAC4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol
SMILESCc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1
InChIInChI=1S/C18H25N3O/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
InChIKeyCWGUIDDLEINBHJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.89
Rot. Bonds5

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

4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol (PubChem CID 655225) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol.

Molecular Properties

Compound Name4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol
PubChem CID655225
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol
SMILESCc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1
InChIInChI=1S/C18H25N3O/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
InChIKeyCWGUIDDLEINBHJ-UHFFFAOYSA-N
XLogP2.89
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.89
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?
The IUPAC name of 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol (CID 655225) is 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol.
What is the SMILES notation for 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol?
The canonical SMILES for 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol is Cc1ccc(-c2nc(CN(C)C)cc(CN(C)C)c2O)cc1.
What is the InChIKey of 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol?
The InChIKey is CWGUIDDLEINBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/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.
What are the key properties of 4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol?
4,6-bis[(dimethylamino)methyl]-2-(4-methylphenyl)pyridin-3-ol has a molecular weight of 299.42 g/mol, XLogP of 2.89, 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 is sourced from PubChem (CID 655225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).