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

C103H79F9N12O8 — CID 159241905

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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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.Cc1cccc(NC(=O)c2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)c1
InChIInChI=1S/C26H20F3N3O2.C26H18F3N3O2.C26H20F3N3O2.C25H21N3O2/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;1-16-4-3-5-22(12-16)27-25(30)21-8-6-17(2)19(14-21)9-7-18-13-20-10-11-23(29)28-24(20)26-15-18/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);3-15H,1-2H3,(H,27,30)(H,26,28,29)/b5-4+;;6-4+;9-7+
InChIKeyKUEXGUSXMFRSPH-AMJLBNDKSA-N
MW1783.82 g/mol
LogP22.14
Rot. Bonds14

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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide (PubChem CID 159241905) has the molecular formula C103H79F9N12O8 and a molecular weight of 1783.82 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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide
PubChem CID159241905
Molecular FormulaC103H79F9N12O8
Molecular Weight1783.82 g/mol
Exact Mass1782.60
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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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.Cc1cccc(NC(=O)c2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)c1
InChIInChI=1S/C26H20F3N3O2.C26H18F3N3O2.C26H20F3N3O2.C25H21N3O2/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;1-16-4-3-5-22(12-16)27-25(30)21-8-6-17(2)19(14-21)9-7-18-13-20-10-11-23(29)28-24(20)26-15-18/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);3-15H,1-2H3,(H,27,30)(H,26,28,29)/b5-4+;;6-4+;9-7+
InChIKeyKUEXGUSXMFRSPH-AMJLBNDKSA-N
XLogP22.14
TPSA299.40 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.82
LogP ≤ 522.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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

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CID 137651848
3-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 137657326
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CID 71114981
N-(5-(3-(cyclopropanecarboxamido)isoquinolin-7-yl)-6-methylpyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
CID 71115180
4-Methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[2-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)ethynyl]benzamide
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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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide;4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]benzamide (CID 159241905) 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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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.Cc1cccc(NC(=O)c2ccc(C)c(/C=C/c3cnc4[nH]c(=O)ccc4c3)c2)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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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 KUEXGUSXMFRSPH-AMJLBNDKSA-N. The full InChI is InChI=1S/C26H20F3N3O2.C26H18F3N3O2.C26H20F3N3O2.C25H21N3O2/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;1-16-4-3-5-22(12-16)27-25(30)21-8-6-17(2)19(14-21)9-7-18-13-20-10-11-23(29)28-24(20)26-15-18/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);3-15H,1-2H3,(H,27,30)(H,26,28,29)/b5-4+;;6-4+;9-7+.
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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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 1783.82 g/mol, XLogP of 22.14, 14 rotatable bonds, 8 hydrogen bond donors, and 12 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-methylphenyl)-3-[(E)-2-(7-oxo-8H-1,8-naphthyridin-3-yl)ethenyl]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 159241905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).