[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C16H26N4O — CID 114596505

IUPAC[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)CC(C)C2C)nn1
InChIInChI=1S/C16H26N4O/c1-5-8-17-15-7-6-14(18-19-15)16(21)20-10-11(2)9-12(3)13(20)4/h6-7,11-13H,5,8-10H2,1-4H3,(H,17,19)
InChIKeySWOKBSGWBMFNJZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.81
Rot. Bonds4

About [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114596505) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114596505
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CC(C)CC(C)C2C)nn1
InChIInChI=1S/C16H26N4O/c1-5-8-17-15-7-6-14(18-19-15)16(21)20-10-11(2)9-12(3)13(20)4/h6-7,11-13H,5,8-10H2,1-4H3,(H,17,19)
InChIKeySWOKBSGWBMFNJZ-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-(propylamino)pyridazin-3-yl]methanone
CID 81212909
(3-methylmorpholin-4-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62169207
(2,6-dimethylpiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62173358
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62165513
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105

Frequently Asked Questions

What is the IUPAC name of [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114596505) is [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CCCNc1ccc(C(=O)N2CC(C)CC(C)C2C)nn1.
What is the InChIKey of [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is SWOKBSGWBMFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-8-17-15-7-6-14(18-19-15)16(21)20-10-11(2)9-12(3)13(20)4/h6-7,11-13H,5,8-10H2,1-4H3,(H,17,19).
What are the key properties of [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(propylamino)pyridazin-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114596505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).