[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C15H24N4O — CID 109111350

IUPAC[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCC(C)CC2)nn1
InChIInChI=1S/C15H24N4O/c1-4-12(3)16-14-6-5-13(17-18-14)15(20)19-9-7-11(2)8-10-19/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18)
InChIKeySSWUJVGOJYJTFA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.56
Rot. Bonds4

About [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109111350) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109111350
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCC(C)CC2)nn1
InChIInChI=1S/C15H24N4O/c1-4-12(3)16-14-6-5-13(17-18-14)15(20)19-9-7-11(2)8-10-19/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18)
InChIKeySSWUJVGOJYJTFA-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
(4-methylpiperidin-1-yl)-[6-(1-phenylethylamino)pyridazin-3-yl]methanone
CID 109113330
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200329
(6-hydrazinylpyridazin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103502396
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327
[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109111518
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 109111350) is [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is CCC(C)Nc1ccc(C(=O)N2CCC(C)CC2)nn1.
What is the InChIKey of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SSWUJVGOJYJTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-12(3)16-14-6-5-13(17-18-14)15(20)19-9-7-11(2)8-10-19/h5-6,11-12H,4,7-10H2,1-3H3,(H,16,18).
What are the key properties of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109111350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).