N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide

C71H49F5N16O10 — CID 123545878

About N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 123545878) has the molecular formula C71H49F5N16O10 and a molecular weight of 1381.26 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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide.

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
• PubChem CID: 123545878
• Molecular Formula: C71H49F5N16O10
• Molecular Weight: 1381.26 g/mol
• Exact Mass: 1380.37
• IUPAC Name: N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
• 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.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(=O)cc[nH]1
• InChI: InChI=1S/C20H12F3N3O2.C18H13N5O3.C17H13FN4O2.C16H11FN4O3/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;1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;17-10-3-11(21-16(23)15-6-12(22)1-2-20-15)5-13(4-10)24-14-7-18-9-19-8-14/h1,3-12H,(H,26,27);2-7,9-11H,1H3,(H,23,24);2-10H,1H3,(H,22,23);1-9H,(H,20,22)(H,21,23)
• InChIKey: WKIXZLPNHZLXEG-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 348.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.26
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide (CID 123545878) is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide.

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide 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.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(=O)cc[nH]1.

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?

The InChIKey is WKIXZLPNHZLXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2.C18H13N5O3.C17H13FN4O2.C16H11FN4O3/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;1-11-3-2-4-16(21-11)17(23)22-13-5-12(18)6-14(7-13)24-15-8-19-10-20-9-15;17-10-3-11(21-16(23)15-6-12(22)1-2-20-15)5-13(4-10)24-14-7-18-9-19-8-14/h1,3-12H,(H,26,27);2-7,9-11H,1H3,(H,23,24);2-10H,1H3,(H,22,23);1-9H,(H,20,22)(H,21,23).

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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide?

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 1381.26 g/mol, XLogP of 13.03, 17 rotatable bonds, 5 hydrogen bond donors, and 21 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;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 123545878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).