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

C24H21FN2O5 — CID 19118025

IUPAC5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CCn2c(O)c(C(=O)COc3ccc(F)cc3)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C24H21FN2O5/c1-15-20(13-26)23(29)27(12-11-16-3-7-18(31-2)8-4-16)24(30)22(15)21(28)14-32-19-9-5-17(25)6-10-19/h3-10,30H,11-12,14H2,1-2H3
InChIKeyMRVTXGWXDVXHMM-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.39
Rot. Bonds8

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

5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19118025) has the molecular formula C24H21FN2O5 and a molecular weight of 436.44 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19118025
Molecular FormulaC24H21FN2O5
Molecular Weight436.44 g/mol
Exact Mass436.14
IUPAC Name5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CCn2c(O)c(C(=O)COc3ccc(F)cc3)c(C)c(C#N)c2=O)cc1
InChIInChI=1S/C24H21FN2O5/c1-15-20(13-26)23(29)27(12-11-16-3-7-18(31-2)8-4-16)24(30)22(15)21(28)14-32-19-9-5-17(25)6-10-19/h3-10,30H,11-12,14H2,1-2H3
InChIKeyMRVTXGWXDVXHMM-UHFFFAOYSA-N
XLogP3.39
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19118025) is 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(CCn2c(O)c(C(=O)COc3ccc(F)cc3)c(C)c(C#N)c2=O)cc1.
What is the InChIKey of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is MRVTXGWXDVXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5/c1-15-20(13-26)23(29)27(12-11-16-3-7-18(31-2)8-4-16)24(30)22(15)21(28)14-32-19-9-5-17(25)6-10-19/h3-10,30H,11-12,14H2,1-2H3.
What are the key properties of 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 436.44 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).