2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

C24H21F2N3O7 — CID 58237993

About 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58237993) has the molecular formula C24H21F2N3O7 and a molecular weight of 501.44 g/mol. Its IUPAC name is 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
• PubChem CID: 58237993
• Molecular Formula: C24H21F2N3O7
• Molecular Weight: 501.44 g/mol
• Exact Mass: 501.13
• IUPAC Name: 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
• SMILES: Cc1ccc(Cn2c(O)c(C(=O)NCc3ccc(F)cc3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1
• InChI: InChI=1S/C24H21F2N3O7/c1-12-2-5-14(16(26)8-12)11-29-23(35)18(21(33)27-9-13-3-6-15(25)7-4-13)20(32)19(24(29)36)22(34)28-10-17(30)31/h2-8,32,35H,9-11H2,1H3,(H,27,33)(H,28,34)(H,30,31)
• InChIKey: QJFDCRPAXOVYCY-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 157.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.44
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58237993) is 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is Cc1ccc(Cn2c(O)c(C(=O)NCc3ccc(F)cc3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1.

What is the InChIKey of 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The InChIKey is QJFDCRPAXOVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O7/c1-12-2-5-14(16(26)8-12)11-29-23(35)18(21(33)27-9-13-3-6-15(25)7-4-13)20(32)19(24(29)36)22(34)28-10-17(30)31/h2-8,32,35H,9-11H2,1H3,(H,27,33)(H,28,34)(H,30,31).

What are the key properties of 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 501.44 g/mol, XLogP of 1.64, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[(2-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58237993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).