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

C11H16N4O2 — CID 108887359

IUPAC2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c1-8-4-2-3-7-15(8)11(17)12-9-5-6-10(16)14-13-9/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,12,13,17)
InChIKeyFNVROWYOQORDFW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds1

About 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide

2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 108887359) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
PubChem CID108887359
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H16N4O2/c1-8-4-2-3-7-15(8)11(17)12-9-5-6-10(16)14-13-9/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,12,13,17)
InChIKeyFNVROWYOQORDFW-UHFFFAOYSA-N
XLogP1.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (CID 108887359) is 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is CC1CCCCN1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is FNVROWYOQORDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-4-2-3-7-15(8)11(17)12-9-5-6-10(16)14-13-9/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,12,13,17).
What are the key properties of 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108887359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).