5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid

C15H23N3O3 — CID 102970723

IUPAC5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
SMILESCCc1nnc(N2CCCC(OC)C2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-4-11-12(5-2)16-17-14(13(11)15(19)20)18-8-6-7-10(9-18)21-3/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyGIQZPWPGTMQMSZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds5

About 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid

5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid (PubChem CID 102970723) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
PubChem CID102970723
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
SMILESCCc1nnc(N2CCCC(OC)C2)c(C(=O)O)c1CC
InChIInChI=1S/C15H23N3O3/c1-4-11-12(5-2)16-17-14(13(11)15(19)20)18-8-6-7-10(9-18)21-3/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyGIQZPWPGTMQMSZ-UHFFFAOYSA-N
XLogP1.91
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid (CID 102970723) is 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid is CCc1nnc(N2CCCC(OC)C2)c(C(=O)O)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
The InChIKey is GIQZPWPGTMQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11-12(5-2)16-17-14(13(11)15(19)20)18-8-6-7-10(9-18)21-3/h10H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid?
5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 102970723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).