N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide

C20H22F3N3O2 — CID 23508174

IUPACN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F
InChIInChI=1S/C20H22F3N3O2/c1-4-28-16-6-5-12(8-15(16)20(21,22)23)18(27)26-14-7-13-9-24-11-19(2,3)17(13)25-10-14/h5-8,10,24H,4,9,11H2,1-3H3,(H,26,27)
InChIKeyLHOFXUQSOCLNPO-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.13
Rot. Bonds4

About N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide

N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide (PubChem CID 23508174) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide
PubChem CID23508174
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F
InChIInChI=1S/C20H22F3N3O2/c1-4-28-16-6-5-12(8-15(16)20(21,22)23)18(27)26-14-7-13-9-24-11-19(2,3)17(13)25-10-14/h5-8,10,24H,4,9,11H2,1-3H3,(H,26,27)
InChIKeyLHOFXUQSOCLNPO-UHFFFAOYSA-N
XLogP4.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide (CID 23508174) is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide is CCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F.
What is the InChIKey of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide?
The InChIKey is LHOFXUQSOCLNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-4-28-16-6-5-12(8-15(16)20(21,22)23)18(27)26-14-7-13-9-24-11-19(2,3)17(13)25-10-14/h5-8,10,24H,4,9,11H2,1-3H3,(H,26,27).
What are the key properties of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide?
N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-ethoxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 23508174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).