N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

C33H23F6N3O2 — CID 24955974

IUPACN-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(/C=C/c3ccc(C(F)(F)F)cc3)cc2n(C)c1=O
InChIInChI=1S/C33H23F6N3O2/c1-19-6-12-26(41-30(43)21-4-3-5-24(14-21)33(37,38)39)16-27(19)28-15-22-18-40-25(17-29(22)42(2)31(28)44)13-9-20-7-10-23(11-8-20)32(34,35)36/h3-18H,1-2H3,(H,41,43)/b13-9+
InChIKeyIWVUCFGQEGNBGZ-UKTHLTGXSA-N
MW607.55 g/mol
LogP8.37
Rot. Bonds5

About N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24955974) has the molecular formula C33H23F6N3O2 and a molecular weight of 607.55 g/mol. Its IUPAC name is N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24955974
Molecular FormulaC33H23F6N3O2
Molecular Weight607.55 g/mol
Exact Mass607.17
IUPAC NameN-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(/C=C/c3ccc(C(F)(F)F)cc3)cc2n(C)c1=O
InChIInChI=1S/C33H23F6N3O2/c1-19-6-12-26(41-30(43)21-4-3-5-24(14-21)33(37,38)39)16-27(19)28-15-22-18-40-25(17-29(22)42(2)31(28)44)13-9-20-7-10-23(11-8-20)32(34,35)36/h3-18H,1-2H3,(H,41,43)/b13-9+
InChIKeyIWVUCFGQEGNBGZ-UKTHLTGXSA-N
XLogP8.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.55
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 24955974) is N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(/C=C/c3ccc(C(F)(F)F)cc3)cc2n(C)c1=O.
What is the InChIKey of N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IWVUCFGQEGNBGZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C33H23F6N3O2/c1-19-6-12-26(41-30(43)21-4-3-5-24(14-21)33(37,38)39)16-27(19)28-15-22-18-40-25(17-29(22)42(2)31(28)44)13-9-20-7-10-23(11-8-20)32(34,35)36/h3-18H,1-2H3,(H,41,43)/b13-9+.
What are the key properties of N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 607.55 g/mol, XLogP of 8.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-methyl-2-oxo-7-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24955974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).