2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

C24H17Cl2F4N3O6 — CID 86652895

About 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 86652895) has the molecular formula C24H17Cl2F4N3O6 and a molecular weight of 590.31 g/mol. Its IUPAC name is 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
• PubChem CID: 86652895
• Molecular Formula: C24H17Cl2F4N3O6
• Molecular Weight: 590.31 g/mol
• Exact Mass: 589.04
• IUPAC Name: 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
• SMILES: O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)c(Cl)c2)cn(Cc2ccc(C(F)(F)F)cc2F)c1=O
• InChI: InChI=1S/C24H17Cl2F4N3O6/c25-15-4-1-11(5-16(15)26)7-31-21(37)14-10-33(9-12-2-3-13(6-17(12)27)24(28,29)30)23(39)19(20(14)36)22(38)32-8-18(34)35/h1-6,10,36H,7-9H2,(H,31,37)(H,32,38)(H,34,35)
• InChIKey: OQUBYXFNVGLQFY-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 137.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.31
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 86652895) is 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)c(Cl)c2)cn(Cc2ccc(C(F)(F)F)cc2F)c1=O.

What is the InChIKey of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The InChIKey is OQUBYXFNVGLQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F4N3O6/c25-15-4-1-11(5-16(15)26)7-31-21(37)14-10-33(9-12-2-3-13(6-17(12)27)24(28,29)30)23(39)19(20(14)36)22(38)32-8-18(34)35/h1-6,10,36H,7-9H2,(H,31,37)(H,32,38)(H,34,35).

What are the key properties of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 590.31 g/mol, XLogP of 3.81, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 86652895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).