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

C20H22N2O4 — CID 19115289

IUPAC6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
SMILESCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CCC)c1O
InChIInChI=1S/C20H22N2O4/c1-4-10-22-19(24)15(12-21)13(3)17(20(22)25)18(23)14-8-6-7-9-16(14)26-11-5-2/h6-9,25H,4-5,10-11H2,1-3H3
InChIKeyLLPLECYJQOQKKQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.16
Rot. Bonds7

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

6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile (PubChem CID 19115289) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
PubChem CID19115289
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
SMILESCCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CCC)c1O
InChIInChI=1S/C20H22N2O4/c1-4-10-22-19(24)15(12-21)13(3)17(20(22)25)18(23)14-8-6-7-9-16(14)26-11-5-2/h6-9,25H,4-5,10-11H2,1-3H3
InChIKeyLLPLECYJQOQKKQ-UHFFFAOYSA-N
XLogP3.16
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-cyclopentyl-6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)pyridine-3-carbonitrile
CID 19116226
6-hydroxy-4-methyl-2-oxo-5-(4-propoxybenzoyl)-1-propylpyridine-3-carbonitrile
CID 19115244
1-benzyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116759
1-butan-2-yl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115957
1-[(2-chlorophenyl)methyl]-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118500
1-hexyl-6-hydroxy-4-methyl-2-oxo-5-(3-propoxybenzoyl)pyridine-3-carbonitrile
CID 19118753
5-(4-bromobenzoyl)-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115209
1-cyclohexyl-5-(2-ethoxybenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116359
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117747
6-hydroxy-4-methyl-5-(2-methylbenzoyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116806

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile (CID 19115289) is 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile is CCCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(CCC)c1O.
What is the InChIKey of 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile?
The InChIKey is LLPLECYJQOQKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-4-10-22-19(24)15(12-21)13(3)17(20(22)25)18(23)14-8-6-7-9-16(14)26-11-5-2/h6-9,25H,4-5,10-11H2,1-3H3.
What are the key properties of 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-oxo-5-(2-propoxybenzoyl)-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 19115289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).