2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C20H33N5O3 — CID 91917512

IUPAC2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NCCN3CCCC3)C2)cc1=O
InChIInChI=1S/C20H33N5O3/c1-28-12-11-25-20(27)14-18(15-22-25)24-9-4-5-17(16-24)13-19(26)21-6-10-23-7-2-3-8-23/h14-15,17H,2-13,16H2,1H3,(H,21,26)
InChIKeyIRJVPWYUJAPMQQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.71
Rot. Bonds9

About 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 91917512) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID91917512
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NCCN3CCCC3)C2)cc1=O
InChIInChI=1S/C20H33N5O3/c1-28-12-11-25-20(27)14-18(15-22-25)24-9-4-5-17(16-24)13-19(26)21-6-10-23-7-2-3-8-23/h14-15,17H,2-13,16H2,1H3,(H,21,26)
InChIKeyIRJVPWYUJAPMQQ-UHFFFAOYSA-N
XLogP0.71
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide 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 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 91917512) is 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is COCCn1ncc(N2CCCC(CC(=O)NCCN3CCCC3)C2)cc1=O.
What is the InChIKey of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is IRJVPWYUJAPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-28-12-11-25-20(27)14-18(15-22-25)24-9-4-5-17(16-24)13-19(26)21-6-10-23-7-2-3-8-23/h14-15,17H,2-13,16H2,1H3,(H,21,26).
What are the key properties of 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 91917512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).