2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide

C19H22N6O2 — CID 122327185

IUPAC2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)COc3ccccc3C)nn2)n1
InChIInChI=1S/C19H22N6O2/c1-14-5-3-4-6-16(14)27-13-19(26)21-11-10-20-17-7-8-18(23-22-17)25-12-9-15(2)24-25/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,26)
InChIKeyMNJJQPGXOHLVNG-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.89
Rot. Bonds8

About 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide

2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122327185) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122327185
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)COc3ccccc3C)nn2)n1
InChIInChI=1S/C19H22N6O2/c1-14-5-3-4-6-16(14)27-13-19(26)21-11-10-20-17-7-8-18(23-22-17)25-12-9-15(2)24-25/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,26)
InChIKeyMNJJQPGXOHLVNG-UHFFFAOYSA-N
XLogP1.89
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-phenoxypropanamide
CID 122327091
1-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122327147
2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122323796
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327239
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122327081
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122290113
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide (CID 122327185) is 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is Cc1ccn(-c2ccc(NCCNC(=O)COc3ccccc3C)nn2)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is MNJJQPGXOHLVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-5-3-4-6-16(14)27-13-19(26)21-11-10-20-17-7-8-18(23-22-17)25-12-9-15(2)24-25/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,26).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122327185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).