6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid

C21H19FN2O3 — CID 70384809

IUPAC6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2c(-c3ccc(F)cc3)cc(C(=O)O)c(=O)n2C)cc1
InChIInChI=1S/C21H19FN2O3/c1-23(2)16-10-6-14(7-11-16)19-17(13-4-8-15(22)9-5-13)12-18(21(26)27)20(25)24(19)3/h4-12H,1-3H3,(H,26,27)
InChIKeyZXDIQBTZRGGMRK-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.62
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid

6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 70384809) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID70384809
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2c(-c3ccc(F)cc3)cc(C(=O)O)c(=O)n2C)cc1
InChIInChI=1S/C21H19FN2O3/c1-23(2)16-10-6-14(7-11-16)19-17(13-4-8-15(22)9-5-13)12-18(21(26)27)20(25)24(19)3/h4-12H,1-3H3,(H,26,27)
InChIKeyZXDIQBTZRGGMRK-UHFFFAOYSA-N
XLogP3.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.62
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]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid (CID 70384809) is 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid is CN(C)c1ccc(-c2c(-c3ccc(F)cc3)cc(C(=O)O)c(=O)n2C)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZXDIQBTZRGGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-23(2)16-10-6-14(7-11-16)19-17(13-4-8-15(22)9-5-13)12-18(21(26)27)20(25)24(19)3/h4-12H,1-3H3,(H,26,27).
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 366.39 g/mol, XLogP of 3.62, 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]-5-(4-fluorophenyl)-1-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 70384809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).