3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

C23H24N6O2 — CID 53371692

IUPAC3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc5c(c4)CCC5)C3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-24-21(30)17-6-3-7-18(10-17)27-22-25-14-26-23(28-22)29-12-20(13-29)31-19-9-8-15-4-2-5-16(15)11-19/h3,6-11,14,20H,2,4-5,12-13H2,1H3,(H,24,30)(H,25,26,27,28)
InChIKeyJYLFZAHCOLIBDT-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.73
Rot. Bonds6

About 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (PubChem CID 53371692) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
PubChem CID53371692
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc5c(c4)CCC5)C3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-24-21(30)17-6-3-7-18(10-17)27-22-25-14-26-23(28-22)29-12-20(13-29)31-19-9-8-15-4-2-5-16(15)11-19/h3,6-11,14,20H,2,4-5,12-13H2,1H3,(H,24,30)(H,25,26,27,28)
InChIKeyJYLFZAHCOLIBDT-UHFFFAOYSA-N
XLogP2.73
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (CID 53371692) is 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc5c(c4)CCC5)C3)n2)c1.
What is the InChIKey of 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The InChIKey is JYLFZAHCOLIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-24-21(30)17-6-3-7-18(10-17)27-22-25-14-26-23(28-22)29-12-20(13-29)31-19-9-8-15-4-2-5-16(15)11-19/h3,6-11,14,20H,2,4-5,12-13H2,1H3,(H,24,30)(H,25,26,27,28).
What are the key properties of 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide has a molecular weight of 416.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(2,3-dihydro-1H-inden-5-yloxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 53371692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).