1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

C18H20ClN5O2 — CID 109117291

IUPAC1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3C)nn2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-12-3-4-14(19)11-16(12)20-17-6-5-15(21-22-17)18(26)24-9-7-23(8-10-24)13(2)25/h3-6,11H,7-10H2,1-2H3,(H,20,22)
InChIKeySJRCETHGTAFKCL-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.49
Rot. Bonds3

About 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109117291) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID109117291
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3C)nn2)CC1
InChIInChI=1S/C18H20ClN5O2/c1-12-3-4-14(19)11-16(12)20-17-6-5-15(21-22-17)18(26)24-9-7-23(8-10-24)13(2)25/h3-6,11H,7-10H2,1-2H3,(H,20,22)
InChIKeySJRCETHGTAFKCL-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047657
1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
1-[4-[6-(2-ethyl-6-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117277
ethyl 4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123868
4-(4-acetylpiperazine-1-carbonyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 109046500
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone (CID 109117291) is 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3C)nn2)CC1.
What is the InChIKey of 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is SJRCETHGTAFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-12-3-4-14(19)11-16(12)20-17-6-5-15(21-22-17)18(26)24-9-7-23(8-10-24)13(2)25/h3-6,11H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 373.84 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109117291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).