N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide

C42H52Cl8N8O6 — CID 159964694

About N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 159964694) has the molecular formula C42H52Cl8N8O6 and a molecular weight of 1048.55 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
• PubChem CID: 159964694
• Molecular Formula: C42H52Cl8N8O6
• Molecular Weight: 1048.55 g/mol
• Exact Mass: 1044.15
• IUPAC Name: N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)N=c1c(Cl)cn(O)cc1Cl.CC(C)(C)C(=O)Nc1c(Cl)cncc1Cl.CC(C)(C)CC(=O)N=c1c(Cl)cn(O)cc1Cl.CC(C)(C)CC(=O)Nc1c(Cl)cncc1Cl
• InChI: InChI=1S/C11H14Cl2N2O2.C11H14Cl2N2O.C10H12Cl2N2O2.C10H12Cl2N2O/c1-11(2,3)4-9(16)14-10-7(12)5-15(17)6-8(10)13;1-11(2,3)4-9(16)15-10-7(12)5-14-6-8(10)13;1-10(2,3)9(15)13-8-6(11)4-14(16)5-7(8)12;1-10(2,3)9(15)14-8-6(11)4-13-5-7(8)12/h5-6,17H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,14,15,16);4-5,16H,1-3H3;4-5H,1-3H3,(H,13,14,15)
• InChIKey: HGDDXVVQFXXTJN-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 193.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.55
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?

The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide (CID 159964694) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide.

What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?

The canonical SMILES for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N=c1c(Cl)cn(O)cc1Cl.CC(C)(C)C(=O)Nc1c(Cl)cncc1Cl.CC(C)(C)CC(=O)N=c1c(Cl)cn(O)cc1Cl.CC(C)(C)CC(=O)Nc1c(Cl)cncc1Cl.

What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?

The InChIKey is HGDDXVVQFXXTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2.C11H14Cl2N2O.C10H12Cl2N2O2.C10H12Cl2N2O/c1-11(2,3)4-9(16)14-10-7(12)5-15(17)6-8(10)13;1-11(2,3)4-9(16)15-10-7(12)5-14-6-8(10)13;1-10(2,3)9(15)13-8-6(11)4-14(16)5-7(8)12;1-10(2,3)9(15)14-8-6(11)4-13-5-7(8)12/h5-6,17H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,14,15,16);4-5,16H,1-3H3;4-5H,1-3H3,(H,13,14,15).

What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide?

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 1048.55 g/mol, XLogP of 12.54, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-3,3-dimethylbutanamide;N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-2,2-dimethylpropanamide;N-(3,5-dichloro-4-pyridinyl)-3,3-dimethylbutanamide;N-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 159964694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).