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

C12H18N4O2 — CID 108887360

IUPAC2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H18N4O2/c1-2-9-5-3-4-8-16(9)12(18)13-10-6-7-11(17)15-14-10/h6-7,9H,2-5,8H2,1H3,(H,15,17)(H,13,14,18)
InChIKeyHYJQGKXGWVYXQW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds2

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

2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 108887360) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
PubChem CID108887360
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H18N4O2/c1-2-9-5-3-4-8-16(9)12(18)13-10-6-7-11(17)15-14-10/h6-7,9H,2-5,8H2,1H3,(H,15,17)(H,13,14,18)
InChIKeyHYJQGKXGWVYXQW-UHFFFAOYSA-N
XLogP1.57
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (CID 108887360) is 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is CCC1CCCCN1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is HYJQGKXGWVYXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-9-5-3-4-8-16(9)12(18)13-10-6-7-11(17)15-14-10/h6-7,9H,2-5,8H2,1H3,(H,15,17)(H,13,14,18).
What are the key properties of 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108887360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).