1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C19H19FN2O4 — CID 19115147

IUPAC1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CC)c1O
InChIInChI=1S/C19H19FN2O4/c1-4-14(26-15-9-7-6-8-13(15)20)17(23)16-11(3)12(10-21)18(24)22(5-2)19(16)25/h6-9,14,25H,4-5H2,1-3H3
InChIKeyAACNBGNAJBUESG-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.93
Rot. Bonds6

About 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115147) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115147
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CC)c1O
InChIInChI=1S/C19H19FN2O4/c1-4-14(26-15-9-7-6-8-13(15)20)17(23)16-11(3)12(10-21)18(24)22(5-2)19(16)25/h6-9,14,25H,4-5H2,1-3H3
InChIKeyAACNBGNAJBUESG-UHFFFAOYSA-N
XLogP2.93
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115147) is 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCC(Oc1ccccc1F)C(=O)c1c(C)c(C#N)c(=O)n(CC)c1O.
What is the InChIKey of 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is AACNBGNAJBUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-4-14(26-15-9-7-6-8-13(15)20)17(23)16-11(3)12(10-21)18(24)22(5-2)19(16)25/h6-9,14,25H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 358.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).