N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

C97H72F6N12O10 — CID 123833058

IUPACN-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESC#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H15F3N2O2.C20H13FN2O2.C20H15N3O2.C19H15FN2O2.C18H14FN3O2/c1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15/h2-12H,1H3,(H,25,26);1,3-13H,(H,23,24);2-11,13H,1H3,(H,23,24);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23)
InChIKeyGNMFPMDBLRGQKL-UHFFFAOYSA-N
MW1679.70 g/mol
LogP22.55
Rot. Bonds20

About N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 123833058) has the molecular formula C97H72F6N12O10 and a molecular weight of 1679.70 g/mol. Its IUPAC name is N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID123833058
Molecular FormulaC97H72F6N12O10
Molecular Weight1679.70 g/mol
Exact Mass1678.54
IUPAC NameN-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESC#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H15F3N2O2.C20H13FN2O2.C20H15N3O2.C19H15FN2O2.C18H14FN3O2/c1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15/h2-12H,1H3,(H,25,26);1,3-13H,(H,23,24);2-11,13H,1H3,(H,23,24);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23)
InChIKeyGNMFPMDBLRGQKL-UHFFFAOYSA-N
XLogP22.55
TPSA292.78 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001679.70
LogP ≤ 522.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide;5-[4-(2-cyanophenyl)piperidin-4-yl]oxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide;N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-5-[4-[3-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 89725225
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 123219772
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide
CID 123258970
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123268019
3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123346357
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
3-ethynyl-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123641473
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide
CID 123714417
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
CID 123731077
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 123741961
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123765627
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (CID 123833058) is N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GNMFPMDBLRGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2.C20H13FN2O2.C20H15N3O2.C19H15FN2O2.C18H14FN3O2/c1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15/h2-12H,1H3,(H,25,26);1,3-13H,(H,23,24);2-11,13H,1H3,(H,23,24);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23).
What are the key properties of N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1679.70 g/mol, XLogP of 22.55, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 123833058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).