5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C17H15FN2O4 — CID 19114989

IUPAC5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)Oc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C17H15FN2O4/c1-9-13(8-19)16(22)20(3)17(23)14(9)15(21)10(2)24-12-6-4-11(18)5-7-12/h4-7,10,23H,1-3H3
InChIKeyKMBQZDPLGHXNMW-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.06
Rot. Bonds4

About 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 19114989) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID19114989
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)C(C)Oc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C17H15FN2O4/c1-9-13(8-19)16(22)20(3)17(23)14(9)15(21)10(2)24-12-6-4-11(18)5-7-12/h4-7,10,23H,1-3H3
InChIKeyKMBQZDPLGHXNMW-UHFFFAOYSA-N
XLogP2.06
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-Fluorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114951
5-[2-(2-Fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114988
5-[2-(2-Fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19115015
5-[2-(4-Fluorophenoxy)butanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19115016
6-Hydroxy-1,4-dimethyl-2-oxo-5-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]pyridine-3-carbonitrile
CID 19115028
1-Ethyl-5-[2-(4-fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115083
1-Ethyl-5-[2-(2-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115121
1-Ethyl-5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115122
1-Ethyl-5-[2-(2-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115147
1-Ethyl-5-[2-(4-fluorophenoxy)butanoyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115148
1-Ethyl-6-hydroxy-4-methyl-2-oxo-5-[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]pyridine-3-carbonitrile
CID 19115160
5-[2-(4-Fluorophenoxy)acetyl]-6-hydroxy-4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 19115214

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 19114989) is 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)C(C)Oc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KMBQZDPLGHXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-9-13(8-19)16(22)20(3)17(23)14(9)15(21)10(2)24-12-6-4-11(18)5-7-12/h4-7,10,23H,1-3H3.
What are the key properties of 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 330.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenoxy)propanoyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19114989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).