(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone

C12H18N4O2 — CID 102969358

IUPAC(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
SMILESCNc1ccc(C(=O)N2CCCC(OC)C2)nn1
InChIInChI=1S/C12H18N4O2/c1-13-11-6-5-10(14-15-11)12(17)16-7-3-4-9(8-16)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyOUTSDBQZVOLQHG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.77
Rot. Bonds3

About (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone

(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone (PubChem CID 102969358) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
PubChem CID102969358
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone
SMILESCNc1ccc(C(=O)N2CCCC(OC)C2)nn1
InChIInChI=1S/C12H18N4O2/c1-13-11-6-5-10(14-15-11)12(17)16-7-3-4-9(8-16)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyOUTSDBQZVOLQHG-UHFFFAOYSA-N
XLogP0.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964022

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone (CID 102969358) is (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone is CNc1ccc(C(=O)N2CCCC(OC)C2)nn1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone?
The InChIKey is OUTSDBQZVOLQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-11-6-5-10(14-15-11)12(17)16-7-3-4-9(8-16)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,15).
What are the key properties of (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone?
(3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-[6-(methylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 102969358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).