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

C89H66F3N19O10 — CID 123980457

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

3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 123980457) has the molecular formula C89H66F3N19O10 and a molecular weight of 1618.62 g/mol. Its IUPAC name is 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 123980457
• Molecular Formula: C89H66F3N19O10
• Molecular Weight: 1618.62 g/mol
• Exact Mass: 1617.52
• IUPAC Name: 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)ccn2)c1.C#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1
• InChI: InChI=1S/C19H13N3O2.C18H13F3N4O2.C18H12N4O2.2C17H14N4O2/c1-2-14-5-3-6-15(11-14)19(23)22-18-12-16(8-10-21-18)24-17-7-4-9-20-13-17;1-11-4-2-5-13(23-11)17(26)25-15-6-3-7-16(24-15)27-12-8-9-14(22-10-12)18(19,20)21;1-2-13-5-3-6-14(9-13)18(23)22-16-11-20-12-17(21-16)24-15-7-4-8-19-10-15;1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14;1-12-3-2-4-13(7-12)17(22)21-16-8-14(5-6-20-16)23-15-9-18-11-19-10-15/h1,3-13H,(H,21,22,23);2-10H,1H3,(H,24,25,26);1,3-12H,(H,21,22,23);2*2-11H,1H3,(H,20,21,22)
• InChIKey: PUEHFOUHOCZDIJ-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 372.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.62
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide (CID 123980457) is 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide.

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

The canonical SMILES for 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide is C#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)ccn2)c1.C#Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)ccn2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)n2)c1.

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

The InChIKey is PUEHFOUHOCZDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2.C18H13F3N4O2.C18H12N4O2.2C17H14N4O2/c1-2-14-5-3-6-15(11-14)19(23)22-18-12-16(8-10-21-18)24-17-7-4-9-20-13-17;1-11-4-2-5-13(23-11)17(26)25-15-6-3-7-16(24-15)27-12-8-9-14(22-10-12)18(19,20)21;1-2-13-5-3-6-14(9-13)18(23)22-16-11-20-12-17(21-16)24-15-7-4-8-19-10-15;1-12-4-2-5-13(8-12)17(22)21-15-10-19-11-16(20-15)23-14-6-3-7-18-9-14;1-12-3-2-4-13(7-12)17(22)21-16-8-14(5-6-20-16)23-15-9-18-11-19-10-15/h1,3-13H,(H,21,22,23);2-10H,1H3,(H,24,25,26);1,3-12H,(H,21,22,23);2*2-11H,1H3,(H,20,21,22).

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

3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 1618.62 g/mol, XLogP of 17.09, 20 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethynyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-ethynyl-N-(4-pyridin-3-yloxy-2-pyridinyl)benzamide;3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide;3-methyl-N-(4-pyrimidin-5-yloxy-2-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123980457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).