2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C22H30N4O2 — CID 3242590

IUPAC2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3C)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-7-9-19(10-8-17)20-11-12-22(28)26(24-20)16-21(27)23-13-5-15-25-14-4-3-6-18(25)2/h7-12,18H,3-6,13-16H2,1-2H3,(H,23,27)
InChIKeyWCQNIJQJOYJBTO-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.60
Rot. Bonds7

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

2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 3242590) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID3242590
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3C)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-7-9-19(10-8-17)20-11-12-22(28)26(24-20)16-21(27)23-13-5-15-25-14-4-3-6-18(25)2/h7-12,18H,3-6,13-16H2,1-2H3,(H,23,27)
InChIKeyWCQNIJQJOYJBTO-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.60
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-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 3242590) is 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3C)n2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is WCQNIJQJOYJBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-7-9-19(10-8-17)20-11-12-22(28)26(24-20)16-21(27)23-13-5-15-25-14-4-3-6-18(25)2/h7-12,18H,3-6,13-16H2,1-2H3,(H,23,27).
What are the key properties of 2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.60, 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-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 3242590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).