6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid

C20H17FN2O3 — CID 15591063

IUPAC6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2cc(=O)c(C(=O)O)cn2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H17FN2O3/c1-22(2)15-8-6-13(7-9-15)18-11-19(24)17(20(25)26)12-23(18)16-5-3-4-14(21)10-16/h3-12H,1-2H3,(H,25,26)
InChIKeyPJPQLPXEKPVFTL-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.41
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid

6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 15591063) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid
PubChem CID15591063
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2cc(=O)c(C(=O)O)cn2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H17FN2O3/c1-22(2)15-8-6-13(7-9-15)18-11-19(24)17(20(25)26)12-23(18)16-5-3-4-14(21)10-16/h3-12H,1-2H3,(H,25,26)
InChIKeyPJPQLPXEKPVFTL-UHFFFAOYSA-N
XLogP3.41
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid (CID 15591063) is 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid is CN(C)c1ccc(-c2cc(=O)c(C(=O)O)cn2-c2cccc(F)c2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is PJPQLPXEKPVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-22(2)15-8-6-13(7-9-15)18-11-19(24)17(20(25)26)12-23(18)16-5-3-4-14(21)10-16/h3-12H,1-2H3,(H,25,26).
What are the key properties of 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 15591063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).