3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C22H30N4O2 — CID 3235868

IUPAC3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCCN3CCCCC3C)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-6-8-19(9-7-17)20-10-11-22(28)26(24-20)15-12-21(27)23-13-16-25-14-4-3-5-18(25)2/h6-11,18H,3-5,12-16H2,1-2H3,(H,23,27)
InChIKeySXORXEDYBXYZMG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.60
Rot. Bonds7

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

3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 3235868) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID3235868
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCCN3CCCCC3C)n2)cc1
InChIInChI=1S/C22H30N4O2/c1-17-6-8-19(9-7-17)20-10-11-22(28)26(24-20)15-12-21(27)23-13-16-25-14-4-3-5-18(25)2/h6-11,18H,3-5,12-16H2,1-2H3,(H,23,27)
InChIKeySXORXEDYBXYZMG-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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 3235868) is 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCN3CCCCC3C)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is SXORXEDYBXYZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-6-8-19(9-7-17)20-10-11-22(28)26(24-20)15-12-21(27)23-13-16-25-14-4-3-5-18(25)2/h6-11,18H,3-5,12-16H2,1-2H3,(H,23,27).
What are the key properties of 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide 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 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 3235868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).