3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

C11H16N4O2 — CID 114278881

IUPAC3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CNCCC1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c1-7-6-12-5-4-8(7)11(17)13-9-2-3-10(16)15-14-9/h2-3,7-8,12H,4-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyXHCKKDPMZIIXLK-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.05
Rot. Bonds2

About 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 114278881) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
PubChem CID114278881
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESCC1CNCCC1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c1-7-6-12-5-4-8(7)11(17)13-9-2-3-10(16)15-14-9/h2-3,7-8,12H,4-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyXHCKKDPMZIIXLK-UHFFFAOYSA-N
XLogP-0.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (CID 114278881) is 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is CC1CNCCC1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is XHCKKDPMZIIXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-6-12-5-4-8(7)11(17)13-9-2-3-10(16)15-14-9/h2-3,7-8,12H,4-6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 114278881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).