2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

C21H22N6O — CID 56699859

IUPAC2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C21H22N6O/c28-21(16-17-6-2-1-3-7-17)27-14-12-26(13-15-27)20-10-9-19(24-25-20)23-18-8-4-5-11-22-18/h1-11H,12-16H2,(H,22,23,24)
InChIKeyNDFRUBGXTJWARE-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.51
Rot. Bonds5

About 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 56699859) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID56699859
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C21H22N6O/c28-21(16-17-6-2-1-3-7-17)27-14-12-26(13-15-27)20-10-9-19(24-25-20)23-18-8-4-5-11-22-18/h1-11H,12-16H2,(H,22,23,24)
InChIKeyNDFRUBGXTJWARE-UHFFFAOYSA-N
XLogP2.51
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 42111861
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
2-(1,3-benzodioxol-5-yl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347411
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064999

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 56699859) is 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.
What is the InChIKey of 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is NDFRUBGXTJWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(16-17-6-2-1-3-7-17)27-14-12-26(13-15-27)20-10-9-19(24-25-20)23-18-8-4-5-11-22-18/h1-11H,12-16H2,(H,22,23,24).
What are the key properties of 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 374.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56699859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).