N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane

C96H71ClF3N17O10 — CID 161246066

About N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane (PubChem CID 161246066) has the molecular formula C96H71ClF3N17O10 and a molecular weight of 1715.18 g/mol. Its IUPAC name is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane.

Molecular Properties

• Compound Name: N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane
• PubChem CID: 161246066
• Molecular Formula: C96H71ClF3N17O10
• Molecular Weight: 1715.18 g/mol
• Exact Mass: 1713.52
• IUPAC Name: N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane
• SMILES: C.C#Cc1ccc(F)c(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C)n3)c2)cn1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1
• InChI: InChI=1S/C19H16ClN3O2.C19H10F3N3O2.2C19H14N4O2.C19H13N3O2.CH4/c1-12-6-7-16(11-21-12)25-17-9-14(20)8-15(10-17)23-19(24)18-5-3-4-13(2)22-18;1-2-11-3-4-15(20)14(5-11)19(26)25-12-6-16(21)18(22)17(7-12)27-13-8-23-10-24-9-13;2*1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;1-2-14-5-3-6-15(9-14)19(23)22-16-7-4-8-17(10-16)24-18-11-20-13-21-12-18;/h3-11H,1-2H3,(H,23,24);1,3-10H,(H,25,26);2*2-8,10-12H,1H3,(H,23,24);1,3-13H,(H,22,23);1H4
• InChIKey: VAQSTCSODKTPST-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 368.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1715.18
LogP ≤ 5	20.25
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;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane?

The IUPAC name of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane (CID 161246066) is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane.

What is the SMILES notation for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane?

The canonical SMILES for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane is C.C#Cc1ccc(F)c(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C)n3)c2)cn1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.

What is the InChIKey of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane?

The InChIKey is VAQSTCSODKTPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2.C19H10F3N3O2.2C19H14N4O2.C19H13N3O2.CH4/c1-12-6-7-16(11-21-12)25-17-9-14(20)8-15(10-17)23-19(24)18-5-3-4-13(2)22-18;1-2-11-3-4-15(20)14(5-11)19(26)25-12-6-16(21)18(22)17(7-12)27-13-8-23-10-24-9-13;2*1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;1-2-14-5-3-6-15(9-14)19(23)22-16-7-4-8-17(10-16)24-18-11-20-13-21-12-18;/h3-11H,1-2H3,(H,23,24);1,3-10H,(H,25,26);2*2-8,10-12H,1H3,(H,23,24);1,3-13H,(H,22,23);1H4.

What are the key properties of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane?

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane has a molecular weight of 1715.18 g/mol, XLogP of 20.25, 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;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane is sourced from PubChem (CID 161246066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).