3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid

C28H23ClN2O4 — CID 122472349

About 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid

3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 122472349) has the molecular formula C28H23ClN2O4 and a molecular weight of 486.96 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid
• PubChem CID: 122472349
• Molecular Formula: C28H23ClN2O4
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.13
• IUPAC Name: 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid
• SMILES: COc1ncc(C(=O)NC(CC(=O)O)c2ccccc2Cl)cc1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C28H23ClN2O4/c1-35-28-23(20-11-7-10-19(14-20)18-8-3-2-4-9-18)15-21(17-30-28)27(34)31-25(16-26(32)33)22-12-5-6-13-24(22)29/h2-15,17,25H,16H2,1H3,(H,31,34)(H,32,33)
• InChIKey: FVBZGDFRMNIGJE-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 88.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid?

The IUPAC name of 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid (CID 122472349) is 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid.

What is the SMILES notation for 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid?

The canonical SMILES for 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid is COc1ncc(C(=O)NC(CC(=O)O)c2ccccc2Cl)cc1-c1cccc(-c2ccccc2)c1.

What is the InChIKey of 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid?

The InChIKey is FVBZGDFRMNIGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O4/c1-35-28-23(20-11-7-10-19(14-20)18-8-3-2-4-9-18)15-21(17-30-28)27(34)31-25(16-26(32)33)22-12-5-6-13-24(22)29/h2-15,17,25H,16H2,1H3,(H,31,34)(H,32,33).

What are the key properties of 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid?

3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 486.96 g/mol, XLogP of 6.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122472349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).