1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C19H15FN2O4 — CID 19115174

IUPAC1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2oc3ccc(F)cc3c2C)c(C)c(C#N)c1=O
InChIInChI=1S/C19H15FN2O4/c1-4-22-18(24)13(8-21)9(2)15(19(22)25)16(23)17-10(3)12-7-11(20)5-6-14(12)26-17/h5-7,25H,4H2,1-3H3
InChIKeyFXCORVDPTDQSSR-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.18
Rot. Bonds3

About 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115174) has the molecular formula C19H15FN2O4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115174
Molecular FormulaC19H15FN2O4
Molecular Weight354.34 g/mol
Exact Mass354.10
IUPAC Name1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C(=O)c2oc3ccc(F)cc3c2C)c(C)c(C#N)c1=O
InChIInChI=1S/C19H15FN2O4/c1-4-22-18(24)13(8-21)9(2)15(19(22)25)16(23)17-10(3)12-7-11(20)5-6-14(12)26-17/h5-7,25H,4H2,1-3H3
InChIKeyFXCORVDPTDQSSR-UHFFFAOYSA-N
XLogP3.18
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115174) is 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C(=O)c2oc3ccc(F)cc3c2C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FXCORVDPTDQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4/c1-4-22-18(24)13(8-21)9(2)15(19(22)25)16(23)17-10(3)12-7-11(20)5-6-14(12)26-17/h5-7,25H,4H2,1-3H3.
What are the key properties of 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 354.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).