N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide

C23H24N6O2 — CID 127053857

IUPACN-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC4(CC3)OCc3ccccc34)n2)c1
InChIInChI=1S/C23H24N6O2/c1-24-20(30)16-6-4-7-18(13-16)27-21-25-15-26-22(28-21)29-11-9-23(10-12-29)19-8-3-2-5-17(19)14-31-23/h2-8,13,15H,9-12,14H2,1H3,(H,24,30)(H,25,26,27,28)
InChIKeyXTNYAAXBPXGEED-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide

N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide (PubChem CID 127053857) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide
PubChem CID127053857
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCC4(CC3)OCc3ccccc34)n2)c1
InChIInChI=1S/C23H24N6O2/c1-24-20(30)16-6-4-7-18(13-16)27-21-25-15-26-22(28-21)29-11-9-23(10-12-29)19-8-3-2-5-17(19)14-31-23/h2-8,13,15H,9-12,14H2,1H3,(H,24,30)(H,25,26,27,28)
InChIKeyXTNYAAXBPXGEED-UHFFFAOYSA-N
XLogP3.00
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312688
3-[[4-(5-cyano-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312696
3-[[4-[4-(cyclopropylmethoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312583
3-[[4-(3-methoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 77230967
N-methyl-3-[[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53372080
3-[[4-[4-(4-chlorophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312572
3-[[4-[4-(3-chlorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312640
3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312832
N-methyl-3-[[4-[3-(4-phenylmethoxyphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312773
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 53362973
3-[[4-[3-(2,5-difluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312668
N-methyl-3-[[4-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312782

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide?
The IUPAC name of N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide (CID 127053857) is N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide.
What is the SMILES notation for N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide?
The canonical SMILES for N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCC4(CC3)OCc3ccccc34)n2)c1.
What is the InChIKey of N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide?
The InChIKey is XTNYAAXBPXGEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-24-20(30)16-6-4-7-18(13-16)27-21-25-15-26-22(28-21)29-11-9-23(10-12-29)19-8-3-2-5-17(19)14-31-23/h2-8,13,15H,9-12,14H2,1H3,(H,24,30)(H,25,26,27,28).
What are the key properties of N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide?
N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide has a molecular weight of 416.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide is sourced from PubChem (CID 127053857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).