1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

C20H25N5O2 — CID 109117277

IUPAC1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)N2CCN(C(C)=O)CC2)nn1
InChIInChI=1S/C20H25N5O2/c1-4-16-7-5-6-14(2)19(16)21-18-9-8-17(22-23-18)20(27)25-12-10-24(11-13-25)15(3)26/h5-9H,4,10-13H2,1-3H3,(H,21,23)
InChIKeyJMUZWCRNVRALFS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.40
Rot. Bonds4

About 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109117277) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID109117277
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)N2CCN(C(C)=O)CC2)nn1
InChIInChI=1S/C20H25N5O2/c1-4-16-7-5-6-14(2)19(16)21-18-9-8-17(22-23-18)20(27)25-12-10-24(11-13-25)15(3)26/h5-9H,4,10-13H2,1-3H3,(H,21,23)
InChIKeyJMUZWCRNVRALFS-UHFFFAOYSA-N
XLogP2.40
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
[5-(2-ethyl-6-methylanilino)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276475
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117291
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109116034
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(2-ethyl-6-methylanilino)-2-methylpyrimidin-4-yl]methanone
CID 109372931
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (CID 109117277) is 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is CCc1cccc(C)c1Nc1ccc(C(=O)N2CCN(C(C)=O)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is JMUZWCRNVRALFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-16-7-5-6-14(2)19(16)21-18-9-8-17(22-23-18)20(27)25-12-10-24(11-13-25)15(3)26/h5-9H,4,10-13H2,1-3H3,(H,21,23).
What are the key properties of 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 367.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).