N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

C90H66F5N19O11 — CID 123774014

About N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 123774014) has the molecular formula C90H66F5N19O11 and a molecular weight of 1684.63 g/mol. Its IUPAC name is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

• Compound Name: N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
• PubChem CID: 123774014
• Molecular Formula: C90H66F5N19O11
• Molecular Weight: 1684.63 g/mol
• Exact Mass: 1683.51
• IUPAC Name: N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1.COc1ccnc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1
• InChI: InChI=1S/C20H12F3N3O2.C18H13N5O3.C18H15N3O2.2C17H13FN4O2/c1-2-13-4-3-5-14(6-13)19(27)26-16-7-15(20(21,22)23)8-17(9-16)28-18-10-24-12-25-11-18;1-25-14-2-3-22-17(7-14)18(24)23-13-4-12(8-19)5-15(6-13)26-16-9-20-11-21-10-16;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17;2*1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15/h1,3-12H,(H,26,27);2-7,9-11H,1H3,(H,23,24);2-12H,1H3,(H,21,22);2*2-10H,1H3,(H,22,23)
• InChIKey: XBETYRMCONEBKI-UHFFFAOYSA-N
• XLogP: 17.87
• TPSA: 392.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.63
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

The IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (CID 123774014) is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.

What is the SMILES notation for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

The canonical SMILES for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is C#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1.COc1ccnc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.

What is the InChIKey of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

The InChIKey is XBETYRMCONEBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2.C18H13N5O3.C18H15N3O2.2C17H13FN4O2/c1-2-13-4-3-5-14(6-13)19(27)26-16-7-15(20(21,22)23)8-17(9-16)28-18-10-24-12-25-11-18;1-25-14-2-3-22-17(7-14)18(24)23-13-4-12(8-19)5-15(6-13)26-16-9-20-11-21-10-16;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17;2*1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15/h1,3-12H,(H,26,27);2-7,9-11H,1H3,(H,23,24);2-12H,1H3,(H,21,22);2*2-10H,1H3,(H,22,23).

What are the key properties of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 1684.63 g/mol, XLogP of 17.87, 21 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 123774014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).