2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide

C21H28N4O2 — CID 3241030

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3)n2)cc1
InChIInChI=1S/C21H28N4O2/c1-17-6-8-18(9-7-17)19-10-11-21(27)25(23-19)16-20(26)22-12-5-15-24-13-3-2-4-14-24/h6-11H,2-5,12-16H2,1H3,(H,22,26)
InChIKeyWOWVHSWYZSEZGO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.21
Rot. Bonds7

About 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 3241030) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID3241030
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3)n2)cc1
InChIInChI=1S/C21H28N4O2/c1-17-6-8-18(9-7-17)19-10-11-21(27)25(23-19)16-20(26)22-12-5-15-24-13-3-2-4-14-24/h6-11H,2-5,12-16H2,1H3,(H,22,26)
InChIKeyWOWVHSWYZSEZGO-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide (CID 3241030) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is WOWVHSWYZSEZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17-6-8-18(9-7-17)19-10-11-21(27)25(23-19)16-20(26)22-12-5-15-24-13-3-2-4-14-24/h6-11H,2-5,12-16H2,1H3,(H,22,26).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 3241030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).