2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C19H25N5O3 — CID 122321167

IUPAC2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCNc2cc(N3CCCC3)cnn2)cc1
InChIInChI=1S/C19H25N5O3/c1-26-16-4-6-17(7-5-16)27-14-19(25)21-9-8-20-18-12-15(13-22-23-18)24-10-2-3-11-24/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,20,23)(H,21,25)
InChIKeyABQQEVYYAYAKHH-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.69
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122321167) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122321167
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCOc1ccc(OCC(=O)NCCNc2cc(N3CCCC3)cnn2)cc1
InChIInChI=1S/C19H25N5O3/c1-26-16-4-6-17(7-5-16)27-14-19(25)21-9-8-20-18-12-15(13-22-23-18)24-10-2-3-11-24/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,20,23)(H,21,25)
InChIKeyABQQEVYYAYAKHH-UHFFFAOYSA-N
XLogP1.69
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.69
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

1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321061
2-(4-methoxy-3-methylphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321241
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
CID 122321055
2,4,5-trifluoro-3-methoxy-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321243
1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122321142
5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122321196
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122321151
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyacetamide
CID 122326280
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122321167) is 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide is COc1ccc(OCC(=O)NCCNc2cc(N3CCCC3)cnn2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is ABQQEVYYAYAKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-26-16-4-6-17(7-5-16)27-14-19(25)21-9-8-20-18-12-15(13-22-23-18)24-10-2-3-11-24/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122321167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).