2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate

C32H52N4O6 — CID 175781214

About 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate

2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate (PubChem CID 175781214) has the molecular formula C32H52N4O6 and a molecular weight of 588.79 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate.

Molecular Properties

• Compound Name: 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
• PubChem CID: 175781214
• Molecular Formula: C32H52N4O6
• Molecular Weight: 588.79 g/mol
• Exact Mass: 588.39
• IUPAC Name: 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate
• SMILES: CC(C)CC(C(=O)O)n1ccc(CCN(C)C)cc1=O.CCOC(=O)C(CC(C)C)n1ccc(CCN(C)C)cc1=O
• InChI: InChI=1S/C17H28N2O3.C15H24N2O3/c1-6-22-17(21)15(11-13(2)3)19-10-8-14(12-16(19)20)7-9-18(4)5;1-11(2)9-13(15(19)20)17-8-6-12(10-14(17)18)5-7-16(3)4/h8,10,12-13,15H,6-7,9,11H2,1-5H3;6,8,10-11,13H,5,7,9H2,1-4H3,(H,19,20)
• InChIKey: NYZJXBCAIQKKCB-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 114.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.79
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?

The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate (CID 175781214) is 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate.

What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?

The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate is CC(C)CC(C(=O)O)n1ccc(CCN(C)C)cc1=O.CCOC(=O)C(CC(C)C)n1ccc(CCN(C)C)cc1=O.

What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?

The InChIKey is NYZJXBCAIQKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3.C15H24N2O3/c1-6-22-17(21)15(11-13(2)3)19-10-8-14(12-16(19)20)7-9-18(4)5;1-11(2)9-13(15(19)20)17-8-6-12(10-14(17)18)5-7-16(3)4/h8,10,12-13,15H,6-7,9,11H2,1-5H3;6,8,10-11,13H,5,7,9H2,1-4H3,(H,19,20).

What are the key properties of 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate?

2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate has a molecular weight of 588.79 g/mol, XLogP of 3.73, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[4-[2-(dimethylamino)ethyl]-2-oxo-1-pyridinyl]-4-methylpentanoate is sourced from PubChem (CID 175781214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).