N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

C88H61ClF8N16O10S — CID 158191033

About N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 158191033) has the molecular formula C88H61ClF8N16O10S and a molecular weight of 1722.06 g/mol. Its IUPAC name is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
• PubChem CID: 158191033
• Molecular Formula: C88H61ClF8N16O10S
• Molecular Weight: 1722.06 g/mol
• Exact Mass: 1720.40
• IUPAC Name: N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C)n3)c2)cn1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(F)ccn1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cscn1
• InChI: InChI=1S/C21H13F3N2O2.C19H16ClN3O2.C18H15N3O2.C16H9F3N4O2.C14H8F2N4O2S/c1-2-14-5-3-6-15(9-14)20(27)26-17-10-16(21(22,23)24)11-19(12-17)28-18-7-4-8-25-13-18;1-12-6-7-16(11-21-12)25-17-9-14(20)8-15(10-17)23-19(24)18-5-3-4-13(2)22-18;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;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11;15-10-1-8(20-14(21)11-5-23-7-19-11)2-12(13(10)16)22-9-3-17-6-18-4-9/h1,3-13H,(H,26,27);3-11H,1-2H3,(H,23,24);2-12H,1H3,(H,21,22);1-8H,(H,23,24);1-7H,(H,20,21)
• InChIKey: FZTFWBXGJOZBJU-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 333.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.06
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

The IUPAC name of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (CID 158191033) is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.

What is the SMILES notation for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

The canonical SMILES for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is C#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C)n3)c2)cn1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(F)ccn1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cscn1.

What is the InChIKey of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

The InChIKey is FZTFWBXGJOZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2.C19H16ClN3O2.C18H15N3O2.C16H9F3N4O2.C14H8F2N4O2S/c1-2-14-5-3-6-15(9-14)20(27)26-17-10-16(21(22,23)24)11-19(12-17)28-18-7-4-8-25-13-18;1-12-6-7-16(11-21-12)25-17-9-14(20)8-15(10-17)23-19(24)18-5-3-4-13(2)22-18;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;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11;15-10-1-8(20-14(21)11-5-23-7-19-11)2-12(13(10)16)22-9-3-17-6-18-4-9/h1,3-13H,(H,26,27);3-11H,1-2H3,(H,23,24);2-12H,1H3,(H,21,22);1-8H,(H,23,24);1-7H,(H,20,21).

What are the key properties of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 1722.06 g/mol, XLogP of 20.34, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 158191033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).