2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate

C23H18Cl2N3O7- — CID 58237987

About 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate

2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate (PubChem CID 58237987) has the molecular formula C23H18Cl2N3O7- and a molecular weight of 519.32 g/mol. Its IUPAC name is 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate.

Molecular Properties

• Compound Name: 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
• PubChem CID: 58237987
• Molecular Formula: C23H18Cl2N3O7-
• Molecular Weight: 519.32 g/mol
• Exact Mass: 518.05
• IUPAC Name: 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
• SMILES: O=C([O-])CNC(=O)c1c(O)c(C(=O)NCc2ccccc2Cl)c(O)n(Cc2ccccc2Cl)c1=O
• InChI: InChI=1S/C23H19Cl2N3O7/c24-14-7-3-1-5-12(14)9-26-20(32)17-19(31)18(21(33)27-10-16(29)30)23(35)28(22(17)34)11-13-6-2-4-8-15(13)25/h1-8,31,34H,9-11H2,(H,26,32)(H,27,33)(H,29,30)/p-1
• InChIKey: FTBFFQASFUDPLA-UHFFFAOYSA-M
• XLogP: 1.02
• TPSA: 160.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.32
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate?

The IUPAC name of 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate (CID 58237987) is 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate.

What is the SMILES notation for 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate?

The canonical SMILES for 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate is O=C([O-])CNC(=O)c1c(O)c(C(=O)NCc2ccccc2Cl)c(O)n(Cc2ccccc2Cl)c1=O.

What is the InChIKey of 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate?

The InChIKey is FTBFFQASFUDPLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H19Cl2N3O7/c24-14-7-3-1-5-12(14)9-26-20(32)17-19(31)18(21(33)27-10-16(29)30)23(35)28(22(17)34)11-13-6-2-4-8-15(13)25/h1-8,31,34H,9-11H2,(H,26,32)(H,27,33)(H,29,30)/p-1.

What are the key properties of 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate?

2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate has a molecular weight of 519.32 g/mol, XLogP of 1.02, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 58237987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).