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

C24H28N2O4 — CID 19116331

IUPAC1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)cc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c1
InChIInChI=1S/C24H28N2O4/c1-14-10-15(2)12-19(11-14)30-17(4)22(27)21-16(3)20(13-25)23(28)26(24(21)29)18-8-6-5-7-9-18/h10-12,17-18,29H,5-9H2,1-4H3
InChIKeyXJWXWHZHYJMICK-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.51
Rot. Bonds5

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

1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116331) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116331
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)cc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c1
InChIInChI=1S/C24H28N2O4/c1-14-10-15(2)12-19(11-14)30-17(4)22(27)21-16(3)20(13-25)23(28)26(24(21)29)18-8-6-5-7-9-18/h10-12,17-18,29H,5-9H2,1-4H3
InChIKeyXJWXWHZHYJMICK-UHFFFAOYSA-N
XLogP4.51
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116274
5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114995
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
CID 19116219
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116280
1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116231
1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116359
1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116138
1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116311
5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 19115788
5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115526
1-butyl-5-[2-(4-chloro-3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115393
5-[2-(3,4-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117670

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116331) is 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)cc(OC(C)C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)c1.
What is the InChIKey of 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XJWXWHZHYJMICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-14-10-15(2)12-19(11-14)30-17(4)22(27)21-16(3)20(13-25)23(28)26(24(21)29)18-8-6-5-7-9-18/h10-12,17-18,29H,5-9H2,1-4H3.
What are the key properties of 1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 408.50 g/mol, XLogP of 4.51, 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-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).