1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

C23H19FN2O5 — CID 19117760

IUPAC1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O
InChIInChI=1S/C23H19FN2O5/c1-14-17(11-25)22(28)26(12-15-7-9-16(24)10-8-15)23(29)21(14)18(27)13-31-20-6-4-3-5-19(20)30-2/h3-10,29H,12-13H2,1-2H3
InChIKeyWAICVGSFIIERFT-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.19
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19117760) has the molecular formula C23H19FN2O5 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19117760
Molecular FormulaC23H19FN2O5
Molecular Weight422.41 g/mol
Exact Mass422.13
IUPAC Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O
InChIInChI=1S/C23H19FN2O5/c1-14-17(11-25)22(28)26(12-15-7-9-16(24)10-8-15)23(29)21(14)18(27)13-31-20-6-4-3-5-19(20)30-2/h3-10,29H,12-13H2,1-2H3
InChIKeyWAICVGSFIIERFT-UHFFFAOYSA-N
XLogP3.19
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19117760) is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccccc1OCC(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is WAICVGSFIIERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O5/c1-14-17(11-25)22(28)26(12-15-7-9-16(24)10-8-15)23(29)21(14)18(27)13-31-20-6-4-3-5-19(20)30-2/h3-10,29H,12-13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 422.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[2-(2-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).