1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C24H26Cl2N2O4 — CID 19116238

IUPAC1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1Cl
InChIInChI=1S/C24H26Cl2N2O4/c1-3-4-7-10-32-22-18(25)11-15(12-19(22)26)21(29)20-14(2)17(13-27)23(30)28(24(20)31)16-8-5-6-9-16/h11-12,16,31H,3-10H2,1-2H3
InChIKeyJOTNOLFKYDREBJ-UHFFFAOYSA-N
MW477.39 g/mol
LogP5.96
Rot. Bonds8

About 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19116238) has the molecular formula C24H26Cl2N2O4 and a molecular weight of 477.39 g/mol. Its IUPAC name is 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19116238
Molecular FormulaC24H26Cl2N2O4
Molecular Weight477.39 g/mol
Exact Mass476.13
IUPAC Name1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1Cl
InChIInChI=1S/C24H26Cl2N2O4/c1-3-4-7-10-32-22-18(25)11-15(12-19(22)26)21(29)20-14(2)17(13-27)23(30)28(24(20)31)16-8-5-6-9-16/h11-12,16,31H,3-10H2,1-2H3
InChIKeyJOTNOLFKYDREBJ-UHFFFAOYSA-N
XLogP5.96
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dichloro-4-heptoxybenzoyl)-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118782
5-(3,5-dichloro-4-hexoxybenzoyl)-6-hydroxy-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile
CID 19116478
5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117710
5-(4-butoxy-3,5-dichlorobenzoyl)-1-(3-ethoxypropyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117307
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-1-(2-methoxyethyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117039
5-(3,5-dichloro-4-propoxybenzoyl)-6-hydroxy-4-methyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile
CID 19116502
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-4-methyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 19117977
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117441
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19116226
5-(4-butoxy-3,5-dichlorobenzoyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118111
1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116274
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116280

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19116238) is 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n(C3CCCC3)c2O)cc1Cl.
What is the InChIKey of 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JOTNOLFKYDREBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O4/c1-3-4-7-10-32-22-18(25)11-15(12-19(22)26)21(29)20-14(2)17(13-27)23(30)28(24(20)31)16-8-5-6-9-16/h11-12,16,31H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 477.39 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-(3,5-dichloro-4-pentoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19116238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).