N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

C20H19F3N6O4S — CID 166162988

About N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 166162988) has the molecular formula C20H19F3N6O4S and a molecular weight of 496.47 g/mol. Its IUPAC name is N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 166162988
• Molecular Formula: C20H19F3N6O4S
• Molecular Weight: 496.47 g/mol
• Exact Mass: 496.11
• IUPAC Name: N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC(CC(N)=O)C(F)(F)F)s1
• InChI: InChI=1S/C20H19F3N6O4S/c1-9-4-11(12-5-10(2)26-8-14(12)32-3)13(7-25-9)17(31)27-18-28-29-19(34-18)33-15(6-16(24)30)20(21,22)23/h4-5,7-8,15H,6H2,1-3H3,(H2,24,30)(H,27,28,31)
• InChIKey: BVYXNSQXOMZSJQ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 142.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.47
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 166162988) is N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OC(CC(N)=O)C(F)(F)F)s1.

What is the InChIKey of N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The InChIKey is BVYXNSQXOMZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O4S/c1-9-4-11(12-5-10(2)26-8-14(12)32-3)13(7-25-9)17(31)27-18-28-29-19(34-18)33-15(6-16(24)30)20(21,22)23/h4-5,7-8,15H,6H2,1-3H3,(H2,24,30)(H,27,28,31).

What are the key properties of N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide?

N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 496.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-amino-1,1,1-trifluoro-4-oxobutan-2-yl)oxy-1,3,4-thiadiazol-2-yl]-4-(5-methoxy-2-methyl-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 166162988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).