1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile

C21H22N2O4 — CID 19116274

IUPAC1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc1
InChIInChI=1S/C21H22N2O4/c1-13-17(12-22)20(25)23(15-6-4-3-5-7-15)21(26)18(13)19(24)14-8-10-16(27-2)11-9-14/h8-11,15,26H,3-7H2,1-2H3
InChIKeyZJFXKDGEBRIBLL-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.48
Rot. Bonds4

About 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116274) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116274
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc1
InChIInChI=1S/C21H22N2O4/c1-13-17(12-22)20(25)23(15-6-4-3-5-7-15)21(26)18(13)19(24)14-8-10-16(27-2)11-9-14/h8-11,15,26H,3-7H2,1-2H3
InChIKeyZJFXKDGEBRIBLL-UHFFFAOYSA-N
XLogP3.48
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116138
1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116359
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
CID 19116219
1-cyclohexyl-5-[2-(3,5-dimethylphenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116331
1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116311
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19116226
1-cyclopentyl-5-(3,4-dichloro-1-benzothiophene-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116165
1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116238
5-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-1-cyclopentyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116240
5-(4-ethoxybenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115099

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116274) is 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCCC3)c2O)cc1.
What is the InChIKey of 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ZJFXKDGEBRIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-17(12-22)20(25)23(15-6-4-3-5-7-15)21(26)18(13)19(24)14-8-10-16(27-2)11-9-14/h8-11,15,26H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 366.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).