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

C10H14N4O2 — CID 114393008

IUPAC1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C10H14N4O2/c11-10(16)7-1-3-14(4-2-7)8-5-9(15)13-12-6-8/h5-7H,1-4H2,(H2,11,16)(H,13,15)
InChIKeyXUVCUDKDXXNYGO-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.53
Rot. Bonds2

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

1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 114393008) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID114393008
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C10H14N4O2/c11-10(16)7-1-3-14(4-2-7)8-5-9(15)13-12-6-8/h5-7H,1-4H2,(H2,11,16)(H,13,15)
InChIKeyXUVCUDKDXXNYGO-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-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 114393008) is 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is XUVCUDKDXXNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-10(16)7-1-3-14(4-2-7)8-5-9(15)13-12-6-8/h5-7H,1-4H2,(H2,11,16)(H,13,15).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyridazin-4-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-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 114393008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).