2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid

C32H43N3O4 — CID 153352752

About 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid

2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid (PubChem CID 153352752) has the molecular formula C32H43N3O4 and a molecular weight of 533.71 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid.

Molecular Properties

• Compound Name: 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid
• PubChem CID: 153352752
• Molecular Formula: C32H43N3O4
• Molecular Weight: 533.71 g/mol
• Exact Mass: 533.33
• IUPAC Name: 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid
• SMILES: CC(C)CC(C(N)=O)n1cc(CCN(C)C)ccc1=O.Cc1cccc(C)c1-c1cccc(CCC(=O)O)c1
• InChI: InChI=1S/C17H18O2.C15H25N3O2/c1-12-5-3-6-13(2)17(12)15-8-4-7-14(11-15)9-10-16(18)19;1-11(2)9-13(15(16)20)18-10-12(5-6-14(18)19)7-8-17(3)4/h3-8,11H,9-10H2,1-2H3,(H,18,19);5-6,10-11,13H,7-9H2,1-4H3,(H2,16,20)
• InChIKey: SDZNIJASUMZJFD-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 105.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.71
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid?

The IUPAC name of 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid (CID 153352752) is 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid.

What is the SMILES notation for 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid?

The canonical SMILES for 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid is CC(C)CC(C(N)=O)n1cc(CCN(C)C)ccc1=O.Cc1cccc(C)c1-c1cccc(CCC(=O)O)c1.

What is the InChIKey of 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid?

The InChIKey is SDZNIJASUMZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.C15H25N3O2/c1-12-5-3-6-13(2)17(12)15-8-4-7-14(11-15)9-10-16(18)19;1-11(2)9-13(15(16)20)18-10-12(5-6-14(18)19)7-8-17(3)4/h3-8,11H,9-10H2,1-2H3,(H,18,19);5-6,10-11,13H,7-9H2,1-4H3,(H2,16,20).

What are the key properties of 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid?

2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid has a molecular weight of 533.71 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanamide;3-[3-(2,6-dimethylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 153352752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).