3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

C24H25N3O4 — CID 156728764

About 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 156728764) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
• PubChem CID: 156728764
• Molecular Formula: C24H25N3O4
• Molecular Weight: 419.48 g/mol
• Exact Mass: 419.18
• IUPAC Name: 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
• SMILES: Cc1cccc(C)c1-c1cncc(C(CC(=O)O)N(C)C(=O)Cn2ccccc2=O)c1
• InChI: InChI=1S/C24H25N3O4/c1-16-7-6-8-17(2)24(16)19-11-18(13-25-14-19)20(12-23(30)31)26(3)22(29)15-27-10-5-4-9-21(27)28/h4-11,13-14,20H,12,15H2,1-3H3,(H,30,31)
• InChIKey: NKPBTRMNYOMKRG-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 92.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.48
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?

The IUPAC name of 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (CID 156728764) is 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.

What is the SMILES notation for 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?

The canonical SMILES for 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is Cc1cccc(C)c1-c1cncc(C(CC(=O)O)N(C)C(=O)Cn2ccccc2=O)c1.

What is the InChIKey of 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?

The InChIKey is NKPBTRMNYOMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-7-6-8-17(2)24(16)19-11-18(13-25-14-19)20(12-23(30)31)26(3)22(29)15-27-10-5-4-9-21(27)28/h4-11,13-14,20H,12,15H2,1-3H3,(H,30,31).

What are the key properties of 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?

3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 419.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[methyl-[2-(2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 156728764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).