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

C10H14N4O2 — CID 108887313

IUPACN-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCCCC1
InChIInChI=1S/C10H14N4O2/c15-9-5-4-8(12-13-9)11-10(16)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2,(H,13,15)(H,11,12,16)
InChIKeyUPMLKQUQWVIZIM-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.79
Rot. Bonds1

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

N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 108887313) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
PubChem CID108887313
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCCCC1
InChIInChI=1S/C10H14N4O2/c15-9-5-4-8(12-13-9)11-10(16)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2,(H,13,15)(H,11,12,16)
InChIKeyUPMLKQUQWVIZIM-UHFFFAOYSA-N
XLogP0.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (CID 108887313) is N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is O=C(Nc1ccc(=O)[nH]n1)N1CCCCC1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is UPMLKQUQWVIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9-5-4-8(12-13-9)11-10(16)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2,(H,13,15)(H,11,12,16).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 222.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108887313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).