6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile

C19H20N2O5 — CID 19117086

IUPAC6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
SMILESCOCCCn1c(O)c(C(=O)COc2ccccc2)c(C)c(C#N)c1=O
InChIInChI=1S/C19H20N2O5/c1-13-15(11-20)18(23)21(9-6-10-25-2)19(24)17(13)16(22)12-26-14-7-4-3-5-8-14/h3-5,7-8,24H,6,9-10,12H2,1-2H3
InChIKeyQYUQPKISHKZVOT-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.03
Rot. Bonds8

About 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile

6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile (PubChem CID 19117086) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
PubChem CID19117086
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
SMILESCOCCCn1c(O)c(C(=O)COc2ccccc2)c(C)c(C#N)c1=O
InChIInChI=1S/C19H20N2O5/c1-13-15(11-20)18(23)21(9-6-10-25-2)19(24)17(13)16(22)12-26-14-7-4-3-5-8-14/h3-5,7-8,24H,6,9-10,12H2,1-2H3
InChIKeyQYUQPKISHKZVOT-UHFFFAOYSA-N
XLogP2.03
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile
CID 19116016
6-hydroxy-4-methyl-5-[2-(4-methylphenoxy)acetyl]-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116820
6-hydroxy-4-methyl-5-[2-(3-methylphenoxy)acetyl]-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117378
6-hydroxy-4-methyl-2-oxo-1-(3-propan-2-yloxypropyl)-5-[2-(4-propan-2-ylphenoxy)acetyl]pyridine-3-carbonitrile
CID 19117423
5-[2-(4-chlorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CID 19117352
1-butyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115348
5-[2-(4-chlorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 19116816
5-[2-(4-ethylphenoxy)acetyl]-1-hexyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118761
5-[2-(2,6-dimethylphenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115507
5-(4-bromobenzoyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117082
5-(furan-2-carbonyl)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19117096
6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 19117645

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile (CID 19117086) is 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile is COCCCn1c(O)c(C(=O)COc2ccccc2)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
The InChIKey is QYUQPKISHKZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13-15(11-20)18(23)21(9-6-10-25-2)19(24)17(13)16(22)12-26-14-7-4-3-5-8-14/h3-5,7-8,24H,6,9-10,12H2,1-2H3.
What are the key properties of 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile?
6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile has a molecular weight of 356.38 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(2-phenoxyacetyl)pyridine-3-carbonitrile is sourced from PubChem (CID 19117086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).