3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide

C12H18N4O2 — CID 108887336

IUPAC3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H18N4O2/c1-8-5-9(2)7-16(6-8)12(18)13-10-3-4-11(17)15-14-10/h3-4,8-9H,5-7H2,1-2H3,(H,15,17)(H,13,14,18)
InChIKeyHEXHIDFMXBDHTM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.28
Rot. Bonds1

About 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide

3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 108887336) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
PubChem CID108887336
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H18N4O2/c1-8-5-9(2)7-16(6-8)12(18)13-10-3-4-11(17)15-14-10/h3-4,8-9H,5-7H2,1-2H3,(H,15,17)(H,13,14,18)
InChIKeyHEXHIDFMXBDHTM-UHFFFAOYSA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide (CID 108887336) is 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is CC1CC(C)CN(C(=O)Nc2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is HEXHIDFMXBDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-9(2)7-16(6-8)12(18)13-10-3-4-11(17)15-14-10/h3-4,8-9H,5-7H2,1-2H3,(H,15,17)(H,13,14,18).
What are the key properties of 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide?
3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108887336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).