N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide

C21H24F3N3O2 — CID 23508144

IUPACN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O2/c1-12(2)29-17-6-5-13(8-16(17)21(22,23)24)19(28)27-15-7-14-9-25-11-20(3,4)18(14)26-10-15/h5-8,10,12,25H,9,11H2,1-4H3,(H,27,28)
InChIKeyBBPARFLLDBHFKO-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.52
Rot. Bonds4

About N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide

N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide (PubChem CID 23508144) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide
PubChem CID23508144
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N3O2/c1-12(2)29-17-6-5-13(8-16(17)21(22,23)24)19(28)27-15-7-14-9-25-11-20(3,4)18(14)26-10-15/h5-8,10,12,25H,9,11H2,1-4H3,(H,27,28)
InChIKeyBBPARFLLDBHFKO-UHFFFAOYSA-N
XLogP4.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.52
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-propan-2-yloxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide (CID 23508144) is N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide is CC(C)Oc1ccc(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-propan-2-yloxy-3-(trifluoromethyl)benzamide?
The InChIKey is BBPARFLLDBHFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-12(2)29-17-6-5-13(8-16(17)21(22,23)24)19(28)27-15-7-14-9-25-11-20(3,4)18(14)26-10-15/h5-8,10,12,25H,9,11H2,1-4H3,(H,27,28).
What are the key properties of N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide?
N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-propan-2-yloxy-3-(trifluoromethyl)benzamide has a molecular weight of 407.44 g/mol, XLogP of 4.52, 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-propan-2-yloxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 23508144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).