1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea

C18H24N6O2 — CID 122321061

IUPAC1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCOc1cccc(NC(=O)NCCNc2cc(N3CCCC3)cnn2)c1
InChIInChI=1S/C18H24N6O2/c1-26-16-6-4-5-14(11-16)22-18(25)20-8-7-19-17-12-15(13-21-23-17)24-9-2-3-10-24/h4-6,11-13H,2-3,7-10H2,1H3,(H,19,23)(H2,20,22,25)
InChIKeyOQTKIAFGDNCSJX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.32
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea

1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea (PubChem CID 122321061) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
PubChem CID122321061
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCOc1cccc(NC(=O)NCCNc2cc(N3CCCC3)cnn2)c1
InChIInChI=1S/C18H24N6O2/c1-26-16-6-4-5-14(11-16)22-18(25)20-8-7-19-17-12-15(13-21-23-17)24-9-2-3-10-24/h4-6,11-13H,2-3,7-10H2,1H3,(H,19,23)(H2,20,22,25)
InChIKeyOQTKIAFGDNCSJX-UHFFFAOYSA-N
XLogP2.32
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321167
1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122321142
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030
2-(4-methoxy-3-methylphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321241
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
1-(4-methoxyphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50944516
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
CID 122321055
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122321244

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea (CID 122321061) is 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea is COc1cccc(NC(=O)NCCNc2cc(N3CCCC3)cnn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea?
The InChIKey is OQTKIAFGDNCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-26-16-6-4-5-14(11-16)22-18(25)20-8-7-19-17-12-15(13-21-23-17)24-9-2-3-10-24/h4-6,11-13H,2-3,7-10H2,1H3,(H,19,23)(H2,20,22,25).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea?
1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea has a molecular weight of 356.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea is sourced from PubChem (CID 122321061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).