N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C25H24N4O4S — CID 71586281

About N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 71586281) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• PubChem CID: 71586281
• Molecular Formula: C25H24N4O4S
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.15
• IUPAC Name: N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
• SMILES: COCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cn1
• InChI: InChI=1S/C25H24N4O4S/c1-16-12-20(33-19-4-5-22(27-14-19)32-11-10-31-3)13-17(2)23(16)21-15-34-25(28-21)29-24(30)18-6-8-26-9-7-18/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30)
• InChIKey: XOSKWOPOBVWSBQ-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 95.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The IUPAC name of N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 71586281) is N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cn1.

What is the InChIKey of N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The InChIKey is XOSKWOPOBVWSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-16-12-20(33-19-4-5-22(27-14-19)32-11-10-31-3)13-17(2)23(16)21-15-34-25(28-21)29-24(30)18-6-8-26-9-7-18/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30).

What are the key properties of N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?

N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 71586281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).