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

C22H24N6O — CID 42111887

IUPAC(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1C
InChIInChI=1S/C22H24N6O/c1-16-5-6-18(14-17(16)2)22(29)28-12-10-27(11-13-28)21-8-7-20(25-26-21)24-19-4-3-9-23-15-19/h3-9,14-15H,10-13H2,1-2H3,(H,24,25)
InChIKeyDHLKXIUQPHJQEE-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.19
Rot. Bonds4

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

(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42111887) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42111887
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1C
InChIInChI=1S/C22H24N6O/c1-16-5-6-18(14-17(16)2)22(29)28-12-10-27(11-13-28)21-8-7-20(25-26-21)24-19-4-3-9-23-15-19/h3-9,14-15H,10-13H2,1-2H3,(H,24,25)
InChIKeyDHLKXIUQPHJQEE-UHFFFAOYSA-N
XLogP3.19
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569
(1-methyltriazol-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347660
(2,4-dichlorophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111892
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347645
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122347688
(3,4-dimethoxyphenyl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 56699559
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122347680
1,3-benzothiazol-2-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347643
(2-chloro-4-nitrophenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121065067
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
1-adamantyl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347614

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42111887) is (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is DHLKXIUQPHJQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-5-6-18(14-17(16)2)22(29)28-12-10-27(11-13-28)21-8-7-20(25-26-21)24-19-4-3-9-23-15-19/h3-9,14-15H,10-13H2,1-2H3,(H,24,25).
What are the key properties of (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42111887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).