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

C10H14N4O2 — CID 121205974

IUPAC1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H14N4O2/c11-10(16)7-3-5-14(6-4-7)8-1-2-9(15)13-12-8/h1-2,7H,3-6H2,(H2,11,16)(H,13,15)
InChIKeyLYXIQUSVEFYAHU-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.53
Rot. Bonds2

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

1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121205974) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121205974
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C10H14N4O2/c11-10(16)7-3-5-14(6-4-7)8-1-2-9(15)13-12-8/h1-2,7H,3-6H2,(H2,11,16)(H,13,15)
InChIKeyLYXIQUSVEFYAHU-UHFFFAOYSA-N
XLogP-0.53
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (CID 121205974) is 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is LYXIQUSVEFYAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10(16)7-3-5-14(6-4-7)8-1-2-9(15)13-12-8/h1-2,7H,3-6H2,(H2,11,16)(H,13,15).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 222.25 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121205974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).