1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C18H17FN2O3 — CID 19115344

IUPAC1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)c2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17FN2O3/c1-3-4-9-21-17(23)14(10-20)11(2)15(18(21)24)16(22)12-5-7-13(19)8-6-12/h5-8,24H,3-4,9H2,1-2H3
InChIKeyXNFCIHXKCILPIG-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.90
Rot. Bonds5

About 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19115344) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19115344
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(O)c(C(=O)c2ccc(F)cc2)c(C)c(C#N)c1=O
InChIInChI=1S/C18H17FN2O3/c1-3-4-9-21-17(23)14(10-20)11(2)15(18(21)24)16(22)12-5-7-13(19)8-6-12/h5-8,24H,3-4,9H2,1-2H3
InChIKeyXNFCIHXKCILPIG-UHFFFAOYSA-N
XLogP2.90
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19115344) is 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is CCCCn1c(O)c(C(=O)c2ccc(F)cc2)c(C)c(C#N)c1=O.
What is the InChIKey of 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XNFCIHXKCILPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-3-4-9-21-17(23)14(10-20)11(2)15(18(21)24)16(22)12-5-7-13(19)8-6-12/h5-8,24H,3-4,9H2,1-2H3.
What are the key properties of 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 328.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(4-fluorobenzoyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19115344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).