N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C15H22N4O3 — CID 45229508

IUPACN-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)NC1CCCOC1
InChIInChI=1S/C15H22N4O3/c20-14(17-12-4-3-7-22-11-12)10-19-15(21)8-13(9-16-19)18-5-1-2-6-18/h8-9,12H,1-7,10-11H2,(H,17,20)
InChIKeyLZAHJHSKMYJIGH-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.14
Rot. Bonds4

About N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 45229508) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID45229508
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)NC1CCCOC1
InChIInChI=1S/C15H22N4O3/c20-14(17-12-4-3-7-22-11-12)10-19-15(21)8-13(9-16-19)18-5-1-2-6-18/h8-9,12H,1-7,10-11H2,(H,17,20)
InChIKeyLZAHJHSKMYJIGH-UHFFFAOYSA-N
XLogP0.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 45229508) is N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is O=C(Cn1ncc(N2CCCC2)cc1=O)NC1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is LZAHJHSKMYJIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(17-12-4-3-7-22-11-12)10-19-15(21)8-13(9-16-19)18-5-1-2-6-18/h8-9,12H,1-7,10-11H2,(H,17,20).
What are the key properties of N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 45229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).