[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C23H25N5O — CID 109123155

IUPAC[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)cc1C
InChIInChI=1S/C23H25N5O/c1-17-8-9-19(16-18(17)2)24-22-11-10-21(25-26-22)23(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,26)
InChIKeyHWOZLYLNAXVCGP-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.80
Rot. Bonds4

About [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109123155) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109123155
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)cc1C
InChIInChI=1S/C23H25N5O/c1-17-8-9-19(16-18(17)2)24-22-11-10-21(25-26-22)23(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,26)
InChIKeyHWOZLYLNAXVCGP-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261123
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109372642
(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126815
N-(3,4-dimethylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949408
[6-(2,6-dimethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109352129
4-[6-(2,4,6-trimethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117003
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109123155) is [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)cc1C.
What is the InChIKey of [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HWOZLYLNAXVCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-8-9-19(16-18(17)2)24-22-11-10-21(25-26-22)23(29)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3,(H,24,26).
What are the key properties of [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109123155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).