3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide

C12H16N4O2 — CID 112548589

IUPAC3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(=O)NC2)c(C)nn1
InChIInChI=1S/C12H16N4O2/c1-7-5-10(8(2)16-15-7)12(18)14-9-3-4-11(17)13-6-9/h5,9H,3-4,6H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyQJOCPDYJSWFYPN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.10
Rot. Bonds2

About 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide

3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide (PubChem CID 112548589) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide
PubChem CID112548589
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(=O)NC2)c(C)nn1
InChIInChI=1S/C12H16N4O2/c1-7-5-10(8(2)16-15-7)12(18)14-9-3-4-11(17)13-6-9/h5,9H,3-4,6H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyQJOCPDYJSWFYPN-UHFFFAOYSA-N
XLogP0.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide (CID 112548589) is 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide is Cc1cc(C(=O)NC2CCC(=O)NC2)c(C)nn1.
What is the InChIKey of 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide?
The InChIKey is QJOCPDYJSWFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-5-10(8(2)16-15-7)12(18)14-9-3-4-11(17)13-6-9/h5,9H,3-4,6H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide?
3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(6-oxopiperidin-3-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 112548589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).