2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid

C24H19ClF3N3O7 — CID 58238123

About 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid

2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238123) has the molecular formula C24H19ClF3N3O7 and a molecular weight of 553.88 g/mol. Its IUPAC name is 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
• PubChem CID: 58238123
• Molecular Formula: C24H19ClF3N3O7
• Molecular Weight: 553.88 g/mol
• Exact Mass: 553.09
• IUPAC Name: 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid
• SMILES: O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2Cl)c(O)n(Cc2ccccc2C(F)(F)F)c1=O
• InChI: InChI=1S/C24H19ClF3N3O7/c25-15-8-4-2-5-12(15)9-29-20(35)17-19(34)18(21(36)30-10-16(32)33)23(38)31(22(17)37)11-13-6-1-3-7-14(13)24(26,27)28/h1-8,34,37H,9-11H2,(H,29,35)(H,30,36)(H,32,33)
• InChIKey: QZHGXXRPGJWOFB-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 157.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.88
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid (CID 58238123) is 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2Cl)c(O)n(Cc2ccccc2C(F)(F)F)c1=O.

What is the InChIKey of 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?

The InChIKey is QZHGXXRPGJWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O7/c25-15-8-4-2-5-12(15)9-29-20(35)17-19(34)18(21(36)30-10-16(32)33)23(38)31(22(17)37)11-13-6-1-3-7-14(13)24(26,27)28/h1-8,34,37H,9-11H2,(H,29,35)(H,30,36)(H,32,33).

What are the key properties of 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid?

2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 553.88 g/mol, XLogP of 2.72, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).