4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C23H24N2O2 — CID 168586537

IUPAC4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(C#N)c(=O)[nH]1
InChIInChI=1S/C23H24N2O2/c1-13-4-18(20(12-24)22(27)25-13)19-8-17(2-3-21(19)26)23-9-14-5-15(10-23)7-16(6-14)11-23/h2-4,8,14-16,26H,5-7,9-11H2,1H3,(H,25,27)
InChIKeyHGLKZQHNCMCSKU-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.40
Rot. Bonds2

About 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586537) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586537
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(C#N)c(=O)[nH]1
InChIInChI=1S/C23H24N2O2/c1-13-4-18(20(12-24)22(27)25-13)19-8-17(2-3-21(19)26)23-9-14-5-15(10-23)7-16(6-14)11-23/h2-4,8,14-16,26H,5-7,9-11H2,1H3,(H,25,27)
InChIKeyHGLKZQHNCMCSKU-UHFFFAOYSA-N
XLogP4.40
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-hydroxy-5-(hydroxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586527
4-(5-bromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584607
4-[4-[4-(1-adamantyl)-1,3-thiazol-2-yl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585735
4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584611
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-(3,5-dimethyl-1-adamantyl)-2-[5-(3,5-dimethyl-1-adamantyl)-2-hydroxyphenyl]phenol
CID 67507205
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586115
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584564
4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586021
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586537) is 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HGLKZQHNCMCSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-13-4-18(20(12-24)22(27)25-13)19-8-17(2-3-21(19)26)23-9-14-5-15(10-23)7-16(6-14)11-23/h2-4,8,14-16,26H,5-7,9-11H2,1H3,(H,25,27).
What are the key properties of 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-adamantyl)-2-hydroxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).