2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide

C11H14Cl2N4O2 — CID 162727349

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCNC1
InChIInChI=1S/C11H14Cl2N4O2/c12-8-5-15-17(11(19)10(8)13)6-9(18)16-7-2-1-3-14-4-7/h5,7,14H,1-4,6H2,(H,16,18)
InChIKeyAJQFPDMVIUAPMA-UHFFFAOYSA-N
MW305.17 g/mol
LogP0.42
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide (PubChem CID 162727349) has the molecular formula C11H14Cl2N4O2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide
PubChem CID162727349
Molecular FormulaC11H14Cl2N4O2
Molecular Weight305.17 g/mol
Exact Mass304.05
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCNC1
InChIInChI=1S/C11H14Cl2N4O2/c12-8-5-15-17(11(19)10(8)13)6-9(18)16-7-2-1-3-14-4-7/h5,7,14H,1-4,6H2,(H,16,18)
InChIKeyAJQFPDMVIUAPMA-UHFFFAOYSA-N
XLogP0.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide (CID 162727349) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCNC1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide?
The InChIKey is AJQFPDMVIUAPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O2/c12-8-5-15-17(11(19)10(8)13)6-9(18)16-7-2-1-3-14-4-7/h5,7,14H,1-4,6H2,(H,16,18).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide has a molecular weight of 305.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-piperidin-3-ylacetamide is sourced from PubChem (CID 162727349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).