N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide

C17H23N5O2 — CID 122320774

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCNc1cc(N(C)C)cnn1
InChIInChI=1S/C17H23N5O2/c1-13-6-4-5-7-15(13)24-12-17(23)19-9-8-18-16-10-14(22(2)3)11-20-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyJXMQQKGCOWGSJF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.46
Rot. Bonds8

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 122320774) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID122320774
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCNc1cc(N(C)C)cnn1
InChIInChI=1S/C17H23N5O2/c1-13-6-4-5-7-15(13)24-12-17(23)19-9-8-18-16-10-14(22(2)3)11-20-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyJXMQQKGCOWGSJF-UHFFFAOYSA-N
XLogP1.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122320823
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122320841
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 122321946
1-(2,3-dimethoxyphenyl)-3-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122320985
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
CID 7496094
3-(3-chloro-4-fluorophenyl)-N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122320904
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122290113
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 122295387

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide (CID 122320774) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCNc1cc(N(C)C)cnn1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is JXMQQKGCOWGSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-6-4-5-7-15(13)24-12-17(23)19-9-8-18-16-10-14(22(2)3)11-20-21-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 122320774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).