2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

C26H30N4O2 — CID 43992358

IUPAC2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1
InChIInChI=1S/C26H30N4O2/c1-18-12-14-30(15-13-18)25-11-9-23(28-29-25)21-5-7-22(8-6-21)27-26(31)17-32-24-10-4-19(2)16-20(24)3/h4-11,16,18H,12-15,17H2,1-3H3,(H,27,31)
InChIKeyAOTUJKMZQNGMTO-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.01
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 43992358) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID43992358
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1
InChIInChI=1S/C26H30N4O2/c1-18-12-14-30(15-13-18)25-11-9-23(28-29-25)21-5-7-22(8-6-21)27-26(31)17-32-24-10-4-19(2)16-20(24)3/h4-11,16,18H,12-15,17H2,1-3H3,(H,27,31)
InChIKeyAOTUJKMZQNGMTO-UHFFFAOYSA-N
XLogP5.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
2-(2-chlorophenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991488
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992745
2-(3,5-dimethoxyphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991495
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 122278659
2-(2,5-dichlorophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992897
2-(4-ethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991501
2-(4-tert-butylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43991479

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 43992358) is 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is AOTUJKMZQNGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-12-14-30(15-13-18)25-11-9-23(28-29-25)21-5-7-22(8-6-21)27-26(31)17-32-24-10-4-19(2)16-20(24)3/h4-11,16,18H,12-15,17H2,1-3H3,(H,27,31).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 43992358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).