N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide

C20H20N6O2 — CID 53371944

IUPACN-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccccc4)C3)n2)c1
InChIInChI=1S/C20H20N6O2/c1-21-18(27)14-6-5-7-15(10-14)24-19-22-13-23-20(25-19)26-11-17(12-26)28-16-8-3-2-4-9-16/h2-10,13,17H,11-12H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKeyOMQLTZYTCUCZNK-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.24
Rot. Bonds6

About N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide

N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 53371944) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID53371944
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccccc4)C3)n2)c1
InChIInChI=1S/C20H20N6O2/c1-21-18(27)14-6-5-7-15(10-14)24-19-22-13-23-20(25-19)26-11-17(12-26)28-16-8-3-2-4-9-16/h2-10,13,17H,11-12H2,1H3,(H,21,27)(H,22,23,24,25)
InChIKeyOMQLTZYTCUCZNK-UHFFFAOYSA-N
XLogP2.24
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (CID 53371944) is N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccccc4)C3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is OMQLTZYTCUCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-21-18(27)14-6-5-7-15(10-14)24-19-22-13-23-20(25-19)26-11-17(12-26)28-16-8-3-2-4-9-16/h2-10,13,17H,11-12H2,1H3,(H,21,27)(H,22,23,24,25).
What are the key properties of N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 53371944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).