[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone

C15H23N5O3 — CID 100637237

IUPAC[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccc(O[C@@H]2CCN(C(=O)N3CCOCC3)C2)nn1
InChIInChI=1S/C15H23N5O3/c1-18(2)13-3-4-14(17-16-13)23-12-5-6-20(11-12)15(21)19-7-9-22-10-8-19/h3-4,12H,5-11H2,1-2H3/t12-/m1/s1
InChIKeyYKIJEXHLZRKCAU-GFCCVEGCSA-N
MW321.38 g/mol
LogP0.45
Rot. Bonds3

About [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone

[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 100637237) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID100637237
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccc(O[C@@H]2CCN(C(=O)N3CCOCC3)C2)nn1
InChIInChI=1S/C15H23N5O3/c1-18(2)13-3-4-14(17-16-13)23-12-5-6-20(11-12)15(21)19-7-9-22-10-8-19/h3-4,12H,5-11H2,1-2H3/t12-/m1/s1
InChIKeyYKIJEXHLZRKCAU-GFCCVEGCSA-N
XLogP0.45
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 100637237) is [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone is CN(C)c1ccc(O[C@@H]2CCN(C(=O)N3CCOCC3)C2)nn1.
What is the InChIKey of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YKIJEXHLZRKCAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-18(2)13-3-4-14(17-16-13)23-12-5-6-20(11-12)15(21)19-7-9-22-10-8-19/h3-4,12H,5-11H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 100637237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).