3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

C38H28F3N7O4 — CID 123338749

IUPAC3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESC#Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C20H15N3O2.C18H13F3N4O2/c1-3-15-6-4-7-16(12-15)20(24)23-18-8-5-9-19(22-18)25-17-11-10-14(2)21-13-17;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21/h1,4-13H,2H3,(H,22,23,24);2-10H,1H3,(H,24,25,26)
InChIKeyWSTQPMXFZSOREF-UHFFFAOYSA-N
MW703.68 g/mol
LogP8.05
Rot. Bonds8

About 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 123338749) has the molecular formula C38H28F3N7O4 and a molecular weight of 703.68 g/mol. Its IUPAC name is 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
PubChem CID123338749
Molecular FormulaC38H28F3N7O4
Molecular Weight703.68 g/mol
Exact Mass703.22
IUPAC Name3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESC#Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C20H15N3O2.C18H13F3N4O2/c1-3-15-6-4-7-16(12-15)20(24)23-18-8-5-9-19(22-18)25-17-11-10-14(2)21-13-17;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21/h1,4-13H,2H3,(H,22,23,24);2-10H,1H3,(H,24,25,26)
InChIKeyWSTQPMXFZSOREF-UHFFFAOYSA-N
XLogP8.05
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.68
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[6-methyl-5-(2-morpholin-4-ylpyridin-4-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 86297276
2-(1,1-difluoroethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117609729
2-(difluoromethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610117
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-3-methylbenzamide
CID 118707797
3-cyano-N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
CID 118707798
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 118707833
3-methyl-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide
CID 51037937
3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide
CID 58349101
3-cyano-N-(6-pyridin-3-yloxypyrazin-2-yl)benzamide
CID 58349158
N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117609724
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyridin-2-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610054
N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 117610058

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The IUPAC name of 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 123338749) is 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is C#Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.
What is the InChIKey of 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The InChIKey is WSTQPMXFZSOREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.C18H13F3N4O2/c1-3-15-6-4-7-16(12-15)20(24)23-18-8-5-9-19(22-18)25-17-11-10-14(2)21-13-17;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21/h1,4-13H,2H3,(H,22,23,24);2-10H,1H3,(H,24,25,26).
What are the key properties of 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 703.68 g/mol, XLogP of 8.05, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 123338749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).