1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C23H26N2O4 — CID 19116311

IUPAC1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C23H26N2O4/c1-14-8-7-9-15(2)21(14)29-13-19(26)20-16(3)18(12-24)22(27)25(23(20)28)17-10-5-4-6-11-17/h7-9,17,28H,4-6,10-11,13H2,1-3H3
InChIKeyXNSOKQWXHMEUOU-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.12
Rot. Bonds5

About 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116311) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116311
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C23H26N2O4/c1-14-8-7-9-15(2)21(14)29-13-19(26)20-16(3)18(12-24)22(27)25(23(20)28)17-10-5-4-6-11-17/h7-9,17,28H,4-6,10-11,13H2,1-3H3
InChIKeyXNSOKQWXHMEUOU-UHFFFAOYSA-N
XLogP4.12
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-(2H-chromen-3-ylmethylidene)-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 7735214
1-Ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115147
1-Ethyl-5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115148
5-[2-(4-Fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115214
5-[2-(2-Fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115279
5-[2-(4-Fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115280
1-Butyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115348
1-Butyl-5-[2-(2-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115386
1-Butyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115387
1-Butyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115413
1-Butyl-5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115414
5-[2-(4-Fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115481

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116311) is 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1cccc(C)c1OCC(=O)c1c(C)c(C#N)c(=O)n(C2CCCCC2)c1O.
What is the InChIKey of 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XNSOKQWXHMEUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14-8-7-9-15(2)21(14)29-13-19(26)20-16(3)18(12-24)22(27)25(23(20)28)17-10-5-4-6-11-17/h7-9,17,28H,4-6,10-11,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 394.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).