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

C22H17FN2O4 — CID 19117747

IUPAC1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O
InChIInChI=1S/C22H17FN2O4/c1-13-17(11-24)21(27)25(12-14-7-9-15(23)10-8-14)22(28)19(13)20(26)16-5-3-4-6-18(16)29-2/h3-10,28H,12H2,1-2H3
InChIKeyCZAFDSILSUZBBS-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.16
Rot. Bonds5

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

1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19117747) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19117747
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1C(=O)c1c(C)c(C#N)c(=O)n(Cc2ccc(F)cc2)c1O
InChIInChI=1S/C22H17FN2O4/c1-13-17(11-24)21(27)25(12-14-7-9-15(23)10-8-14)22(28)19(13)20(26)16-5-3-4-6-18(16)29-2/h3-10,28H,12H2,1-2H3
InChIKeyCZAFDSILSUZBBS-UHFFFAOYSA-N
XLogP3.16
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 19117747) is 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccccc1C(=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-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CZAFDSILSUZBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c1-13-17(11-24)21(27)25(12-14-7-9-15(23)10-8-14)22(28)19(13)20(26)16-5-3-4-6-18(16)29-2/h3-10,28H,12H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 392.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-hydroxy-5-(2-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).