5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C19H20N2O4 — CID 19115109

IUPAC5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O
InChIInChI=1S/C19H20N2O4/c1-5-21-18(23)14(9-20)13(4)16(19(21)24)15(22)10-25-17-11(2)7-6-8-12(17)3/h6-8,24H,5,10H2,1-4H3
InChIKeyPKKWPSBGHINSJJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.63
Rot. Bonds5

About 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115109) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115109
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O
InChIInChI=1S/C19H20N2O4/c1-5-21-18(23)14(9-20)13(4)16(19(21)24)15(22)10-25-17-11(2)7-6-8-12(17)3/h6-8,24H,5,10H2,1-4H3
InChIKeyPKKWPSBGHINSJJ-UHFFFAOYSA-N
XLogP2.63
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115109) is 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)COc2c(C)cccc2C)c(C)c(C#N)c1=O.
What is the InChIKey of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is PKKWPSBGHINSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-5-21-18(23)14(9-20)13(4)16(19(21)24)15(22)10-25-17-11(2)7-6-8-12(17)3/h6-8,24H,5,10H2,1-4H3.
What are the key properties of 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 340.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).