N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

C21H22N4O2 — CID 113046517

IUPACN-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3c(C)cccc3C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)27-13-20(26)22-18-11-12-19(25-24-18)23-21-15(2)5-4-6-16(21)3/h4-12H,13H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyPCCUQAACKZLXBT-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.16
Rot. Bonds6

About N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 113046517) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID113046517
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Nc3c(C)cccc3C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)27-13-20(26)22-18-11-12-19(25-24-18)23-21-15(2)5-4-6-16(21)3/h4-12H,13H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyPCCUQAACKZLXBT-UHFFFAOYSA-N
XLogP4.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048225
N-[6-(3-acetylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113049082
2-(4-methylphenoxy)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050394
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113047843
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide (CID 113046517) is N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Nc3c(C)cccc3C)nn2)cc1.
What is the InChIKey of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is PCCUQAACKZLXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)27-13-20(26)22-18-11-12-19(25-24-18)23-21-15(2)5-4-6-16(21)3/h4-12H,13H2,1-3H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113046517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).