3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide

C111H90N24O10 — CID 123825570

About 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide

3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide (PubChem CID 123825570) has the molecular formula C111H90N24O10 and a molecular weight of 1920.10 g/mol. Its IUPAC name is 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
• PubChem CID: 123825570
• Molecular Formula: C111H90N24O10
• Molecular Weight: 1920.10 g/mol
• Exact Mass: 1918.73
• IUPAC Name: 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccn2)c1.C#Cc1cccc(C(=O)Nc2ccnc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1
• InChI: InChI=1S/C19H15N5O.C19H14N4O2.C19H18N4O.C18H16N4O2.C18H12N4O2.C18H15N3O2/c1-3-14-5-4-6-15(9-14)19(25)23-18-10-16(7-8-22-18)24(2)17-11-20-13-21-12-17;1-3-14-5-4-6-15(9-14)19(24)23-17-11-20-12-18(22-17)25-16-8-7-13(2)21-10-16;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-14(8-12)18(23)22-16-10-19-11-17(21-16)24-15-7-6-13(2)20-9-15;1-2-13-4-3-5-14(8-13)18(23)22-15-6-7-21-17(9-15)24-16-10-19-12-20-11-16;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16/h1,4-13H,2H3,(H,22,23,25);1,4-12H,2H3,(H,22,23,24);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,21,22,23);1,3-12H,(H,21,22,23);2-12H,1H3,(H,20,21,22)
• InChIKey: AAFSLNGSLLAJGO-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 424.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.10
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide?

The IUPAC name of 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide (CID 123825570) is 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide.

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

The canonical SMILES for 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide is C#Cc1cccc(C(=O)Nc2cc(N(C)c3cncnc3)ccn2)c1.C#Cc1cccc(C(=O)Nc2ccnc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1.Cc1cccc(C(=O)Nc2cc(N(C)c3cccnc3)ccn2)c1.Cc1cccc(C(=O)Nc2ccnc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C)nc3)n2)c1.

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

The InChIKey is AAFSLNGSLLAJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.C19H14N4O2.C19H18N4O.C18H16N4O2.C18H12N4O2.C18H15N3O2/c1-3-14-5-4-6-15(9-14)19(25)23-18-10-16(7-8-22-18)24(2)17-11-20-13-21-12-17;1-3-14-5-4-6-15(9-14)19(24)23-17-11-20-12-18(22-17)25-16-8-7-13(2)21-10-16;1-14-5-3-6-15(11-14)19(24)22-18-12-16(8-10-21-18)23(2)17-7-4-9-20-13-17;1-12-4-3-5-14(8-12)18(23)22-16-10-19-11-17(21-16)24-15-7-6-13(2)20-9-15;1-2-13-4-3-5-14(8-13)18(23)22-15-6-7-21-17(9-15)24-16-10-19-12-20-11-16;1-13-4-2-5-14(10-13)18(22)21-15-7-9-20-17(11-15)23-16-6-3-8-19-12-16/h1,4-13H,2H3,(H,22,23,25);1,4-12H,2H3,(H,22,23,24);3-13H,1-2H3,(H,21,22,24);3-11H,1-2H3,(H,21,22,23);1,3-12H,(H,21,22,23);2-12H,1H3,(H,20,21,22).

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

3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide has a molecular weight of 1920.10 g/mol, XLogP of 20.14, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-ethynyl-N-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide;3-ethynyl-N-(2-pyrimidin-5-yloxy-4-pyridinyl)benzamide;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide is sourced from PubChem (CID 123825570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).