5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol

C23H25N3O4 — CID 159935067

IUPAC5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(C)c1O.[C-]#[N+]c1ccc(Oc2c(C)ncc(CO)c2C)cc1
InChIInChI=1S/C15H14N2O2.C8H11NO2/c1-10-12(9-18)8-17-11(2)15(10)19-14-6-4-13(16-3)5-7-14;1-5-7(4-10)3-9-6(2)8(5)11/h4-8,18H,9H2,1-2H3;3,10-11H,4H2,1-2H3
InChIKeyOADIPGCADGXCOS-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.43
Rot. Bonds4

About 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 159935067) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID159935067
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1ncc(CO)c(C)c1O.[C-]#[N+]c1ccc(Oc2c(C)ncc(CO)c2C)cc1
InChIInChI=1S/C15H14N2O2.C8H11NO2/c1-10-12(9-18)8-17-11(2)15(10)19-14-6-4-13(16-3)5-7-14;1-5-7(4-10)3-9-6(2)8(5)11/h4-8,18H,9H2,1-2H3;3,10-11H,4H2,1-2H3
InChIKeyOADIPGCADGXCOS-UHFFFAOYSA-N
XLogP4.43
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol with MolForge

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Related Compounds

[5-[(4-isocyanophenyl)methoxy]-4,6-dimethyl-3-pyridinyl]methanol;4-[[5-[(4-isocyanophenyl)methoxy]-4,6-dimethyl-3-pyridinyl]methoxy]benzonitrile
CID 162236564
4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxymethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171380537
[2-amino-5-(4-isocyanophenoxy)phenyl]methanol
CID 156625805
5-[(4-methoxyphenyl)methoxymethyl]-2,4-dimethylpyridin-3-ol
CID 155358636
4-[[4-(4-bromophenoxy)phenyl]iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135828678
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylimino-iminoazanium
CID 6334276
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
CID 129116376
5-(hydroxymethyl)-2-methyl-4-[2-(4-methylphenoxy)ethyliminomethyl]pyridin-3-ol
CID 135828679
1-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]ethanone
CID 90678912
[5-ethoxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methanol
CID 15613384
2-ethenyl-5-(hydroxymethyl)-4-methylpyridin-3-ol
CID 71400938

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol (CID 159935067) is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol is Cc1ncc(CO)c(C)c1O.[C-]#[N+]c1ccc(Oc2c(C)ncc(CO)c2C)cc1.
What is the InChIKey of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is OADIPGCADGXCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C8H11NO2/c1-10-12(9-18)8-17-11(2)15(10)19-14-6-4-13(16-3)5-7-14;1-5-7(4-10)3-9-6(2)8(5)11/h4-8,18H,9H2,1-2H3;3,10-11H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol?
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 407.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 159935067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).