1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid

C20H16F2N2O3 — CID 15591065

IUPAC1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2cc(=O)c(C(=O)O)cn2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H16F2N2O3/c1-23(2)14-6-3-12(4-7-14)18-10-19(25)15(20(26)27)11-24(18)17-8-5-13(21)9-16(17)22/h3-11H,1-2H3,(H,26,27)
InChIKeyPMZHOEVJKLJFQE-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid

1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 15591065) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid
PubChem CID15591065
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid
SMILESCN(C)c1ccc(-c2cc(=O)c(C(=O)O)cn2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H16F2N2O3/c1-23(2)14-6-3-12(4-7-14)18-10-19(25)15(20(26)27)11-24(18)17-8-5-13(21)9-16(17)22/h3-11H,1-2H3,(H,26,27)
InChIKeyPMZHOEVJKLJFQE-UHFFFAOYSA-N
XLogP3.55
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid (CID 15591065) is 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid is CN(C)c1ccc(-c2cc(=O)c(C(=O)O)cn2-c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is PMZHOEVJKLJFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-23(2)14-6-3-12(4-7-14)18-10-19(25)15(20(26)27)11-24(18)17-8-5-13(21)9-16(17)22/h3-11H,1-2H3,(H,26,27).
What are the key properties of 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid?
1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6-[4-(dimethylamino)phenyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 15591065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).