6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide

C21H24N8O6S — CID 166585052

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide (PubChem CID 166585052) has the molecular formula C21H24N8O6S and a molecular weight of 516.54 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
• PubChem CID: 166585052
• Molecular Formula: C21H24N8O6S
• Molecular Weight: 516.54 g/mol
• Exact Mass: 516.15
• IUPAC Name: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1noc(CN(C)S(C)(=O)=O)n1
• InChI: InChI=1S/C21H24N8O6S/c1-29(36(3,32)33)10-16-25-20(28-35-16)12-5-4-6-13(18(12)34-2)23-14-9-15(24-21(31)11-7-8-11)26-27-17(14)19(22)30/h4-6,9,11H,7-8,10H2,1-3H3,(H2,22,30)(H2,23,24,26,31)
• InChIKey: LEVJSOXAWRUCSF-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 195.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.54
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide (CID 166585052) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2C(N)=O)cccc1-c1noc(CN(C)S(C)(=O)=O)n1.

What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

The InChIKey is LEVJSOXAWRUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O6S/c1-29(36(3,32)33)10-16-25-20(28-35-16)12-5-4-6-13(18(12)34-2)23-14-9-15(24-21(31)11-7-8-11)26-27-17(14)19(22)30/h4-6,9,11H,7-8,10H2,1-3H3,(H2,22,30)(H2,23,24,26,31).

What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide?

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide has a molecular weight of 516.54 g/mol, XLogP of 1.12, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-3-yl]anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 166585052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).