6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one

C16H19FN2O2 — CID 144545628

IUPAC6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
SMILESCCc1c(-c2ccc(N(C)C)c(F)c2)[nH]c(=O)c(C)c1O
InChIInChI=1S/C16H19FN2O2/c1-5-11-14(18-16(21)9(2)15(11)20)10-6-7-13(19(3)4)12(17)8-10/h6-8H,5H2,1-4H3,(H2,18,20,21)
InChIKeyAZRXLMRMAOPZST-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.82
Rot. Bonds3

About 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one

6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one (PubChem CID 144545628) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
PubChem CID144545628
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one
SMILESCCc1c(-c2ccc(N(C)C)c(F)c2)[nH]c(=O)c(C)c1O
InChIInChI=1S/C16H19FN2O2/c1-5-11-14(18-16(21)9(2)15(11)20)10-6-7-13(19(3)4)12(17)8-10/h6-8H,5H2,1-4H3,(H2,18,20,21)
InChIKeyAZRXLMRMAOPZST-UHFFFAOYSA-N
XLogP2.82
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one (CID 144545628) is 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one is CCc1c(-c2ccc(N(C)C)c(F)c2)[nH]c(=O)c(C)c1O.
What is the InChIKey of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
The InChIKey is AZRXLMRMAOPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-5-11-14(18-16(21)9(2)15(11)20)10-6-7-13(19(3)4)12(17)8-10/h6-8H,5H2,1-4H3,(H2,18,20,21).
What are the key properties of 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one?
6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one has a molecular weight of 290.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)-3-fluorophenyl]-5-ethyl-4-hydroxy-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 144545628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).