[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H24N6O — CID 109124170

IUPAC[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1
InChIInChI=1S/C22H24N6O/c1-2-17-6-8-18(9-7-17)24-20-11-10-19(25-26-20)22(29)28-15-13-27(14-16-28)21-5-3-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,26)
InChIKeyJRGCYKLPNLGJJI-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.14
Rot. Bonds5

About [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109124170) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109124170
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1
InChIInChI=1S/C22H24N6O/c1-2-17-6-8-18(9-7-17)24-20-11-10-19(25-26-20)22(29)28-15-13-27(14-16-28)21-5-3-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,26)
InChIKeyJRGCYKLPNLGJJI-UHFFFAOYSA-N
XLogP3.14
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124185
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
N-(4-ethylphenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923915
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109124170) is [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)nn2)cc1.
What is the InChIKey of [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JRGCYKLPNLGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-17-6-8-18(9-7-17)24-20-11-10-19(25-26-20)22(29)28-15-13-27(14-16-28)21-5-3-4-12-23-21/h3-12H,2,13-16H2,1H3,(H,24,26).
What are the key properties of [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 388.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109124170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).