2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide

C17H20N4O2 — CID 113038736

IUPAC2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C17H20N4O2/c1-13-4-6-14(7-5-13)23-12-17(22)18-15-8-9-16(20-19-15)21-10-2-3-11-21/h4-9H,2-3,10-12H2,1H3,(H,18,19,22)
InChIKeyMTFBYINWZXVFPX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide

2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide (PubChem CID 113038736) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
PubChem CID113038736
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCC3)nn2)cc1
InChIInChI=1S/C17H20N4O2/c1-13-4-6-14(7-5-13)23-12-17(22)18-15-8-9-16(20-19-15)21-10-2-3-11-21/h4-9H,2-3,10-12H2,1H3,(H,18,19,22)
InChIKeyMTFBYINWZXVFPX-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040480
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423
N-[6-(2,6-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046517
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide (CID 113038736) is 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)nn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide?
The InChIKey is MTFBYINWZXVFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-4-6-14(7-5-13)23-12-17(22)18-15-8-9-16(20-19-15)21-10-2-3-11-21/h4-9H,2-3,10-12H2,1H3,(H,18,19,22).
What are the key properties of 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide?
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide is sourced from PubChem (CID 113038736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).