4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

C68H51F3N16O9S — CID 123858230

About 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (PubChem CID 123858230) has the molecular formula C68H51F3N16O9S and a molecular weight of 1325.32 g/mol. Its IUPAC name is 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
• PubChem CID: 123858230
• Molecular Formula: C68H51F3N16O9S
• Molecular Weight: 1325.32 g/mol
• Exact Mass: 1324.37
• IUPAC Name: 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
• SMILES: C#Cc1csc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.COc1ccnc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2nccc(Oc3cccnc3)n2)c1
• InChI: InChI=1S/C19H14F3N3O2.C17H14N4O2.C16H13N5O3.C16H10N4O2S/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22;1-12-4-2-5-13(10-12)16(22)21-17-19-9-7-15(20-17)23-14-6-3-8-18-11-14;1-23-12-2-3-20-15(5-12)16(22)21-11-4-13(7-17-6-11)24-14-8-18-10-19-9-14;1-2-11-3-15(23-9-11)16(21)20-12-4-13(6-17-5-12)22-14-7-18-10-19-8-14/h2-11H,1H3,(H,24,25,26);2-11H,1H3,(H,19,20,21,22);2-10H,1H3,(H,21,22);1,3-10H,(H,20,21)
• InChIKey: UAISFHIUYMCINZ-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 317.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.32
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?

The IUPAC name of 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (CID 123858230) is 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.

What is the SMILES notation for 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?

The canonical SMILES for 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is C#Cc1csc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.COc1ccnc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2nccc(Oc3cccnc3)n2)c1.

What is the InChIKey of 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?

The InChIKey is UAISFHIUYMCINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C17H14N4O2.C16H13N5O3.C16H10N4O2S/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22;1-12-4-2-5-13(10-12)16(22)21-17-19-9-7-15(20-17)23-14-6-3-8-18-11-14;1-23-12-2-3-20-15(5-12)16(22)21-11-4-13(7-17-6-11)24-14-8-18-10-19-9-14;1-2-11-3-15(23-9-11)16(21)20-12-4-13(6-17-5-12)22-14-7-18-10-19-8-14/h2-11H,1H3,(H,24,25,26);2-11H,1H3,(H,19,20,21,22);2-10H,1H3,(H,21,22);1,3-10H,(H,20,21).

What are the key properties of 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?

4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide has a molecular weight of 1325.32 g/mol, XLogP of 13.35, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-methoxy-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(4-pyridin-3-yloxypyrimidin-2-yl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 123858230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).