3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

C88H71F4N23O8 — CID 123652627

About 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 123652627) has the molecular formula C88H71F4N23O8 and a molecular weight of 1654.68 g/mol. Its IUPAC name is 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
• PubChem CID: 123652627
• Molecular Formula: C88H71F4N23O8
• Molecular Weight: 1654.68 g/mol
• Exact Mass: 1653.58
• IUPAC Name: 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
• InChI: InChI=1S/C19H15N5O.C18H13F3N4O2.C18H17N5O.C17H13FN4O2.C16H13N5O2/c1-3-14-5-4-6-15(7-14)19(25)23-16-8-17(10-20-9-16)24(2)18-11-21-13-22-12-18;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-13-4-3-5-14(6-13)18(24)22-15-7-16(9-19-8-15)23(2)17-10-20-12-21-11-17;1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14;1-11-4-2-5-13(19-11)16(22)21-14-6-3-7-15(20-14)23-12-8-17-10-18-9-12/h1,4-13H,2H3,(H,23,25);2-10H,1H3,(H,24,25,26);3-12H,1-2H3,(H,22,24);2-10H,1H3,(H,22,23);2-10H,1H3,(H,20,21,22)
• InChIKey: CIMWYJSIZBCZAH-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 385.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1654.68
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 123652627) is 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

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

The canonical SMILES for 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is C#Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.

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

The InChIKey is CIMWYJSIZBCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.C18H13F3N4O2.C18H17N5O.C17H13FN4O2.C16H13N5O2/c1-3-14-5-4-6-15(7-14)19(25)23-16-8-17(10-20-9-16)24(2)18-11-21-13-22-12-18;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-13-4-3-5-14(6-13)18(24)22-15-7-16(9-19-8-15)23(2)17-10-20-12-21-11-17;1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14;1-11-4-2-5-13(19-11)16(22)21-14-6-3-7-15(20-14)23-12-8-17-10-18-9-12/h1,4-13H,2H3,(H,23,25);2-10H,1H3,(H,24,25,26);3-12H,1-2H3,(H,22,24);2-10H,1H3,(H,22,23);2-10H,1H3,(H,20,21,22).

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

3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 1654.68 g/mol, XLogP of 16.30, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethynyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;6-methyl-N-(6-pyrimidin-5-yloxy-2-pyridinyl)pyridine-2-carboxamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 123652627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).