[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C18H22N4O — CID 109113392

IUPAC[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCC(C)CC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-13-8-10-22(11-9-13)18(23)16-6-7-17(21-20-16)19-15-5-3-4-14(2)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,19,21)
InChIKeyVYLUTPLHZZAIAQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.40
Rot. Bonds3

About [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109113392) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109113392
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(Nc2ccc(C(=O)N3CCC(C)CC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-13-8-10-22(11-9-13)18(23)16-6-7-17(21-20-16)19-15-5-3-4-14(2)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,19,21)
InChIKeyVYLUTPLHZZAIAQ-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113465
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299212
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327
1-[3-[[6-(4-methylpiperazine-1-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109116415
[6-(4-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112707
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 109113392) is [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(Nc2ccc(C(=O)N3CCC(C)CC3)nn2)c1.
What is the InChIKey of [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VYLUTPLHZZAIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-8-10-22(11-9-13)18(23)16-6-7-17(21-20-16)19-15-5-3-4-14(2)12-15/h3-7,12-13H,8-11H2,1-2H3,(H,19,21).
What are the key properties of [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109113392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).