1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile

C22H24N2O4 — CID 19116226

IUPAC1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
SMILESCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCC2)c1O
InChIInChI=1S/C22H24N2O4/c1-3-12-28-18-11-7-6-10-16(18)20(25)19-14(2)17(13-23)21(26)24(22(19)27)15-8-4-5-9-15/h6-7,10-11,15,27H,3-5,8-9,12H2,1-2H3
InChIKeyUWCJHGACYJPZCA-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.87
Rot. Bonds6

About 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile

1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile (PubChem CID 19116226) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
PubChem CID19116226
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
SMILESCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCC2)c1O
InChIInChI=1S/C22H24N2O4/c1-3-12-28-18-11-7-6-10-16(18)20(25)19-14(2)17(13-23)21(26)24(22(19)27)15-8-4-5-9-15/h6-7,10-11,15,27H,3-5,8-9,12H2,1-2H3
InChIKeyUWCJHGACYJPZCA-UHFFFAOYSA-N
XLogP3.87
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116359
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115289
1-cyclopentyl-6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19116138
1-[(4-fluorophenyl)methyl]-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19117832
6-hydroxy-1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19118635
1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116274
1-benzyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116759
5-(4-bromobenzoyl)-1-cyclohexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116280
1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115957
1-cyclohexyl-5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116311
1-[(2-chlorophenyl)methyl]-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118500
1-cyclopentyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116231

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
The IUPAC name of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile (CID 19116226) is 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile is CCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(C2CCCC2)c1O.
What is the InChIKey of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
The InChIKey is UWCJHGACYJPZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-12-28-18-11-7-6-10-16(18)20(25)19-14(2)17(13-23)21(26)24(22(19)27)15-8-4-5-9-15/h6-7,10-11,15,27H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile?
1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile has a molecular weight of 380.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19116226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).