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

C24H20Cl2FN3O6 — CID 58238032

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

2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238032) has the molecular formula C24H20Cl2FN3O6 and a molecular weight of 536.34 g/mol. Its IUPAC name is 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
• PubChem CID: 58238032
• Molecular Formula: C24H20Cl2FN3O6
• Molecular Weight: 536.34 g/mol
• Exact Mass: 535.07
• IUPAC Name: 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
• SMILES: Cc1ccc(Cn2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1
• InChI: InChI=1S/C24H20Cl2FN3O6/c1-12-2-4-14(18(27)6-12)10-30-11-15(21(33)20(24(30)36)23(35)29-9-19(31)32)22(34)28-8-13-3-5-16(25)17(26)7-13/h2-7,11,33H,8-10H2,1H3,(H,28,34)(H,29,35)(H,31,32)
• InChIKey: DVVFQWRZOKVCIG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 137.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.34
LogP ≤ 5	3.10
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-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238032) is 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)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-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is Cc1ccc(Cn2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c(O)c(C(=O)NCC(=O)O)c2=O)c(F)c1.

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

The InChIKey is DVVFQWRZOKVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN3O6/c1-12-2-4-14(18(27)6-12)10-30-11-15(21(33)20(24(30)36)23(35)29-9-19(31)32)22(34)28-8-13-3-5-16(25)17(26)7-13/h2-7,11,33H,8-10H2,1H3,(H,28,34)(H,29,35)(H,31,32).

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

2-[[5-[(3,4-dichlorophenyl)methylcarbamoyl]-1-[(2-fluoro-4-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 536.34 g/mol, XLogP of 3.10, 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-methylphenyl)methyl]-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).