methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

C112H99F3N18O12 — CID 158894566

IUPACmethane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
SMILESC.C.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1
InChIInChI=1S/C21H18F3N3O.C18H15N3O3.3C18H15N3O2.C17H13N3O2.2CH4/c1-14-5-3-6-15(9-14)20(28)26-17-7-4-8-18(11-17)27(2)19-10-16(12-25-13-19)21(22,23)24;1-23-17-9-3-8-16(21-17)18(22)20-13-5-2-6-14(11-13)24-15-7-4-10-19-12-15;3*1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15;;/h3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,20,22);3*2-12H,1H3,(H,21,22);1-12H,(H,20,21);2*1H4
InChIKeyJERCKXHNAOATHH-UHFFFAOYSA-N
MW1946.13 g/mol
LogP25.24
Rot. Bonds25

About methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 158894566) has the molecular formula C112H99F3N18O12 and a molecular weight of 1946.13 g/mol. Its IUPAC name is methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Namemethane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
PubChem CID158894566
Molecular FormulaC112H99F3N18O12
Molecular Weight1946.13 g/mol
Exact Mass1944.76
IUPAC Namemethane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
SMILESC.C.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1
InChIInChI=1S/C21H18F3N3O.C18H15N3O3.3C18H15N3O2.C17H13N3O2.2CH4/c1-14-5-3-6-15(9-14)20(28)26-17-7-4-8-18(11-17)27(2)19-10-16(12-25-13-19)21(22,23)24;1-23-17-9-3-8-16(21-17)18(22)20-13-5-2-6-14(11-13)24-15-7-4-10-19-12-15;3*1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15;;/h3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,20,22);3*2-12H,1H3,(H,21,22);1-12H,(H,20,21);2*1H4
InChIKeyJERCKXHNAOATHH-UHFFFAOYSA-N
XLogP25.24
TPSA375.01 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001946.13
LogP ≤ 525.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide with MolForge

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Related Compounds

3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane
CID 157356230
N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 161093395
N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide
CID 158406793
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 162162107
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 58337690
N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide
CID 159968939
N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123377102
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248

Frequently Asked Questions

What is the IUPAC name of methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (CID 158894566) is methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is C.C.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1.
What is the InChIKey of methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is JERCKXHNAOATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O.C18H15N3O3.3C18H15N3O2.C17H13N3O2.2CH4/c1-14-5-3-6-15(9-14)20(28)26-17-7-4-8-18(11-17)27(2)19-10-16(12-25-13-19)21(22,23)24;1-23-17-9-3-8-16(21-17)18(22)20-13-5-2-6-14(11-13)24-15-7-4-10-19-12-15;3*1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15;;/h3-13H,1-2H3,(H,26,28);2-12H,1H3,(H,20,22);3*2-12H,1H3,(H,21,22);1-12H,(H,20,21);2*1H4.
What are the key properties of methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 1946.13 g/mol, XLogP of 25.24, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;tris(6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide);N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 158894566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).