[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone

C17H19ClN4O — CID 109112734

IUPAC[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C17H19ClN4O/c1-12-11-13(18)5-6-14(12)19-16-8-7-15(20-21-16)17(23)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyWJCFCPCGDVBYME-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.81
Rot. Bonds3

About [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone

[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109112734) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109112734
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C17H19ClN4O/c1-12-11-13(18)5-6-14(12)19-16-8-7-15(20-21-16)17(23)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyWJCFCPCGDVBYME-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067
[5-(4-chloro-2-methylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274372
1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117291
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331
[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112053
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321835
[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112076
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
methyl 4-chloro-3-[[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109112030
1-[4-[6-(4-chloro-2-methylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346072

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109112734) is [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone is Cc1cc(Cl)ccc1Nc1ccc(C(=O)N2CCCCC2)nn1.
What is the InChIKey of [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is WJCFCPCGDVBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-11-13(18)5-6-14(12)19-16-8-7-15(20-21-16)17(23)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 330.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109112734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).