N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide

C22H22N4O3 — CID 7422442

IUPACN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H22N4O3/c27-22(16-29-19-7-2-1-3-8-19)23-18-6-4-5-17(15-18)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,23,27)
InChIKeyFSYVIMJXHKRIKE-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.00
Rot. Bonds6

About N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide

N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide (PubChem CID 7422442) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
PubChem CID7422442
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H22N4O3/c27-22(16-29-19-7-2-1-3-8-19)23-18-6-4-5-17(15-18)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,23,27)
InChIKeyFSYVIMJXHKRIKE-UHFFFAOYSA-N
XLogP3.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide (CID 7422442) is N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is FSYVIMJXHKRIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-22(16-29-19-7-2-1-3-8-19)23-18-6-4-5-17(15-18)20-9-10-21(25-24-20)26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H,23,27).
What are the key properties of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide?
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 390.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 7422442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).