3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one

C17H22N6O2 — CID 122342639

IUPAC3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)c3cccn(C)c3=O)CC2)c1
InChIInChI=1S/C17H22N6O2/c1-20(2)13-11-15(19-18-12-13)22-7-9-23(10-8-22)17(25)14-5-4-6-21(3)16(14)24/h4-6,11-12H,7-10H2,1-3H3
InChIKeyQXGSCNLNTFMFLU-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.20
Rot. Bonds3

About 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one

3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 122342639) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID122342639
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCN(C)c1cnnc(N2CCN(C(=O)c3cccn(C)c3=O)CC2)c1
InChIInChI=1S/C17H22N6O2/c1-20(2)13-11-15(19-18-12-13)22-7-9-23(10-8-22)17(25)14-5-4-6-21(3)16(14)24/h4-6,11-12H,7-10H2,1-3H3
InChIKeyQXGSCNLNTFMFLU-UHFFFAOYSA-N
XLogP0.20
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-pyridazin-3-yl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 56778465
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 71807484
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 71807485
1-{4-[5-(Dimethylamino)pyridazin-3-YL]piperazin-1-YL}-2-methylpropan-1-one
CID 71807486
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3-methylbutan-1-one
CID 71807488
1-(4-(6-(Pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 71807512
1-(4-(5-Morpholinopyridazin-3-yl)piperazin-1-yl)ethanone
CID 71807532
1-(4-(6-(Dimethylamino)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 76147935
4,4,4-Trifluoro-2-methyl-1-(4-pyridazin-3-ylpiperazin-1-yl)but-2-en-1-one
CID 91054821
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 122342766
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)pentan-1-one
CID 71807487
Cyclopropyl(4-(5-(dimethylamino)pyridazin-3-yl)piperazin-1-yl)methanone
CID 71807499

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 122342639) is 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one is CN(C)c1cnnc(N2CCN(C(=O)c3cccn(C)c3=O)CC2)c1.
What is the InChIKey of 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is QXGSCNLNTFMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-20(2)13-11-15(19-18-12-13)22-7-9-23(10-8-22)17(25)14-5-4-6-21(3)16(14)24/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one?
3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 122342639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).