4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride

C21H26Cl2F3N3O2 — CID 23508175

IUPAC4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
SMILESCCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C21H24F3N3O2.2ClH/c1-5-29-17-7-6-13(9-16(17)21(22,23)24)19(28)26-15-8-14-11-27(4)12-20(2,3)18(14)25-10-15;;/h6-10H,5,11-12H2,1-4H3,(H,26,28);2*1H
InChIKeyWTDPPCMHRRNDFV-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.32
Rot. Bonds4

About 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride

4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride (PubChem CID 23508175) has the molecular formula C21H26Cl2F3N3O2 and a molecular weight of 480.36 g/mol. Its IUPAC name is 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
PubChem CID23508175
Molecular FormulaC21H26Cl2F3N3O2
Molecular Weight480.36 g/mol
Exact Mass479.14
IUPAC Name4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride
SMILESCCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C21H24F3N3O2.2ClH/c1-5-29-17-7-6-13(9-16(17)21(22,23)24)19(28)26-15-8-14-11-27(4)12-20(2,3)18(14)25-10-15;;/h6-10H,5,11-12H2,1-4H3,(H,26,28);2*1H
InChIKeyWTDPPCMHRRNDFV-UHFFFAOYSA-N
XLogP5.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride?
The IUPAC name of 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride (CID 23508175) is 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride is CCOc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C(F)(F)F.Cl.Cl.
What is the InChIKey of 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride?
The InChIKey is WTDPPCMHRRNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2.2ClH/c1-5-29-17-7-6-13(9-16(17)21(22,23)24)19(28)26-15-8-14-11-27(4)12-20(2,3)18(14)25-10-15;;/h6-10H,5,11-12H2,1-4H3,(H,26,28);2*1H.
What are the key properties of 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride?
4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride has a molecular weight of 480.36 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(trifluoromethyl)-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide;dihydrochloride is sourced from PubChem (CID 23508175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).