3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide

C20H19N3O2 — CID 95877842

IUPAC3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccc(Oc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O2/c1-14-11-12-19(23-22-14)25-18-10-6-9-17(13-18)20(24)21-15(2)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyXEBFOOKQRZOHAE-HNNXBMFYSA-N
MW333.39 g/mol
LogP4.07
Rot. Bonds5

About 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide

3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 95877842) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
PubChem CID95877842
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccc(Oc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O2/c1-14-11-12-19(23-22-14)25-18-10-6-9-17(13-18)20(24)21-15(2)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyXEBFOOKQRZOHAE-HNNXBMFYSA-N
XLogP4.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide (CID 95877842) is 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide is Cc1ccc(Oc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is XEBFOOKQRZOHAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-11-12-19(23-22-14)25-18-10-6-9-17(13-18)20(24)21-15(2)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide?
3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 95877842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).