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

C19H19N7O — CID 122347312

IUPACpyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C19H19N7O/c27-19(15-4-3-8-20-14-15)26-12-10-25(11-13-26)18-7-6-17(23-24-18)22-16-5-1-2-9-21-16/h1-9,14H,10-13H2,(H,21,22,23)
InChIKeyLEAODVBNYLLUSW-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.97
Rot. Bonds4

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

pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347312) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347312
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Namepyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C19H19N7O/c27-19(15-4-3-8-20-14-15)26-12-10-25(11-13-26)18-7-6-17(23-24-18)22-16-5-1-2-9-21-16/h1-9,14H,10-13H2,(H,21,22,23)
InChIKeyLEAODVBNYLLUSW-UHFFFAOYSA-N
XLogP1.97
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347473
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347425
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
1,3-benzothiazol-2-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347384
[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347414
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347312) is pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1cccnc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.
What is the InChIKey of pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is LEAODVBNYLLUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-19(15-4-3-8-20-14-15)26-12-10-25(11-13-26)18-7-6-17(23-24-18)22-16-5-1-2-9-21-16/h1-9,14H,10-13H2,(H,21,22,23).
What are the key properties of pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 361.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).