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

C17H20N4O — CID 109112707

IUPAC[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCCCC3)nn2)cc1
InChIInChI=1S/C17H20N4O/c1-13-5-7-14(8-6-13)18-16-10-9-15(19-20-16)17(22)21-11-3-2-4-12-21/h5-10H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyHXTOUVICRSBBPS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.15
Rot. Bonds3

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

[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109112707) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109112707
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCCCC3)nn2)cc1
InChIInChI=1S/C17H20N4O/c1-13-5-7-14(8-6-13)18-16-10-9-15(19-20-16)17(22)21-11-3-2-4-12-21/h5-10H,2-4,11-12H2,1H3,(H,18,20)
InChIKeyHXTOUVICRSBBPS-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109126497
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112076
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109112707) is [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)nn2)cc1.
What is the InChIKey of [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is HXTOUVICRSBBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-5-7-14(8-6-13)18-16-10-9-15(19-20-16)17(22)21-11-3-2-4-12-21/h5-10H,2-4,11-12H2,1H3,(H,18,20).
What are the key properties of [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109112707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).