4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

C17H15FN4O3S — CID 166163398

About 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 166163398) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
• PubChem CID: 166163398
• Molecular Formula: C17H15FN4O3S
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.08
• IUPAC Name: 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
• SMILES: COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c(F)c1
• InChI: InChI=1S/C17H15FN4O3S/c1-9-6-12(11-5-4-10(24-2)7-14(11)18)13(8-19-9)15(23)20-16-21-22-17(25-3)26-16/h4-8H,1-3H3,(H,20,21,23)
• InChIKey: IXDHTUGNDUYYLZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (CID 166163398) is 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is COc1ccc(-c2cc(C)ncc2C(=O)Nc2nnc(OC)s2)c(F)c1.

What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?

The InChIKey is IXDHTUGNDUYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-9-6-12(11-5-4-10(24-2)7-14(11)18)13(8-19-9)15(23)20-16-21-22-17(25-3)26-16/h4-8H,1-3H3,(H,20,21,23).

What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?

4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluoro-4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 166163398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).