3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide

C78H58F9N9O6 — CID 158976388

IUPAC3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.Cc1cc(C(=O)Nc2ccc(C)c(C#Cc3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3N3O2.C26H18F3N3O2.C26H20F3N3O2/c2*1-15-9-20(12-21(10-15)26(27,28)29)25(34)31-22-7-3-16(2)18(13-22)5-4-17-11-19-6-8-23(33)32-24(19)30-14-17;1-15-9-21(26(27,28)29)13-22(10-15)31-25(34)20-5-3-16(2)18(12-20)6-4-17-11-19-7-8-23(33)32-24(19)30-14-17/h3-14H,1-2H3,(H,31,34)(H,30,32,33);3,6-14H,1-2H3,(H,31,34)(H,30,32,33);3-14H,1-2H3,(H,31,34)(H,30,32,33)/b5-4+;;6-4+
InChIKeyJOLILLSCUGQVEP-ZUIKEPAZSA-N
MW1388.36 g/mol
LogP17.17
Rot. Bonds10

About 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide

3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide (PubChem CID 158976388) has the molecular formula C78H58F9N9O6 and a molecular weight of 1388.36 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide
PubChem CID158976388
Molecular FormulaC78H58F9N9O6
Molecular Weight1388.36 g/mol
Exact Mass1387.44
IUPAC Name3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.Cc1cc(C(=O)Nc2ccc(C)c(C#Cc3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3N3O2.C26H18F3N3O2.C26H20F3N3O2/c2*1-15-9-20(12-21(10-15)26(27,28)29)25(34)31-22-7-3-16(2)18(13-22)5-4-17-11-19-6-8-23(33)32-24(19)30-14-17;1-15-9-21(26(27,28)29)13-22(10-15)31-25(34)20-5-3-16(2)18(12-20)6-4-17-11-19-7-8-23(33)32-24(19)30-14-17/h3-14H,1-2H3,(H,31,34)(H,30,32,33);3,6-14H,1-2H3,(H,31,34)(H,30,32,33);3-14H,1-2H3,(H,31,34)(H,30,32,33)/b5-4+;;6-4+
InChIKeyJOLILLSCUGQVEP-ZUIKEPAZSA-N
XLogP17.17
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.36
LogP ≤ 517.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide with MolForge

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Related Compounds

3-(2-(6-aminopyridin-3-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109023
N-{4-Methyl-3-[8-Methyl-7-Oxo-2-(Phenylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]phenyl}-3-(Trifluoromethyl)benzamide
CID 60147016
3-[2-(6-acetamido-3-pyridinyl)ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 46911110
3-[2-[6-(cyclopropanecarbonylamino)-3-pyridinyl]ethynyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 49797875
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrimidin-5-ylethynyl)benzamide
CID 49797877
4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(pyrimidin-5-ylethynyl)benzamide
CID 24871562
N3-(6-acetamidopyridin-3-yl)-4-methyl-N1-(3-(trifluoromethyl)phenyl)isophthalamide
CID 44560588
3-((6-acetamidopyridin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CID 54584314
4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
3-[2-(1-aminoisoquinolin-4-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 123920373
3-[2-(6-amino-5-methyl-3-pyridinyl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 137651848
3-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 137657326

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide (CID 158976388) is 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide is Cc1cc(C(=O)Nc2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.Cc1cc(C(=O)Nc2ccc(C)c(C#Cc3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.Cc1cc(NC(=O)c2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide?
The InChIKey is JOLILLSCUGQVEP-ZUIKEPAZSA-N. The full InChI is InChI=1S/C26H20F3N3O2.C26H18F3N3O2.C26H20F3N3O2/c2*1-15-9-20(12-21(10-15)26(27,28)29)25(34)31-22-7-3-16(2)18(13-22)5-4-17-11-19-6-8-23(33)32-24(19)30-14-17;1-15-9-21(26(27,28)29)13-22(10-15)31-25(34)20-5-3-16(2)18(12-20)6-4-17-11-19-7-8-23(33)32-24(19)30-14-17/h3-14H,1-2H3,(H,31,34)(H,30,32,33);3,6-14H,1-2H3,(H,31,34)(H,30,32,33);3-14H,1-2H3,(H,31,34)(H,30,32,33)/b5-4+;;6-4+.
What are the key properties of 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide?
3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide has a molecular weight of 1388.36 g/mol, XLogP of 17.17, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]phenyl]-5-(trifluoromethyl)benzamide;3-methyl-N-[4-methyl-3-[2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethynyl]phenyl]-5-(trifluoromethyl)benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide is sourced from PubChem (CID 158976388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).