2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

C15H24N4O2 — CID 52899252

IUPAC2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC1CCN(c2ccc(=O)n(CC(=O)NC(C)C)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)16-14(20)10-19-15(21)5-4-13(17-19)18-8-6-12(3)7-9-18/h4-5,11-12H,6-10H2,1-3H3,(H,16,20)
InChIKeyAJOXUQWRKHPWPG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.00
Rot. Bonds4

About 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide

2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 52899252) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
PubChem CID52899252
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
SMILESCC1CCN(c2ccc(=O)n(CC(=O)NC(C)C)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(2)16-14(20)10-19-15(21)5-4-13(17-19)18-8-6-12(3)7-9-18/h4-5,11-12H,6-10H2,1-3H3,(H,16,20)
InChIKeyAJOXUQWRKHPWPG-UHFFFAOYSA-N
XLogP1.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide (CID 52899252) is 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is CC1CCN(c2ccc(=O)n(CC(=O)NC(C)C)n2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AJOXUQWRKHPWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)16-14(20)10-19-15(21)5-4-13(17-19)18-8-6-12(3)7-9-18/h4-5,11-12H,6-10H2,1-3H3,(H,16,20).
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide?
2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 52899252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).