N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide

C20H17N5O4S — CID 95799115

About N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide

N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (PubChem CID 95799115) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
• PubChem CID: 95799115
• Molecular Formula: C20H17N5O4S
• Molecular Weight: 423.45 g/mol
• Exact Mass: 423.10
• IUPAC Name: N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
• SMILES: COc1ccc(NC(=O)Cn2nc(-c3cccs3)c(-c3cc(C)no3)cc2=O)cn1
• InChI: InChI=1S/C20H17N5O4S/c1-12-8-15(29-24-12)14-9-19(27)25(23-20(14)16-4-3-7-30-16)11-17(26)22-13-5-6-18(28-2)21-10-13/h3-10H,11H2,1-2H3,(H,22,26)
• InChIKey: KZXYXZZTKISIEM-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 112.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.45
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?

The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide (CID 95799115) is N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide.

What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?

The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is COc1ccc(NC(=O)Cn2nc(-c3cccs3)c(-c3cc(C)no3)cc2=O)cn1.

What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?

The InChIKey is KZXYXZZTKISIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-12-8-15(29-24-12)14-9-19(27)25(23-20(14)16-4-3-7-30-16)11-17(26)22-13-5-6-18(28-2)21-10-13/h3-10H,11H2,1-2H3,(H,22,26).

What are the key properties of N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide?

N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide has a molecular weight of 423.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-3-pyridinyl)-2-[4-(3-methyl-1,2-oxazol-5-yl)-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 95799115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).