N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide

C19H24N6O2 — CID 122321055

IUPACN-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C19H24N6O2/c26-18(14-22-19(27)15-6-2-1-3-7-15)21-9-8-20-17-12-16(13-23-24-17)25-10-4-5-11-25/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,20,24)(H,21,26)(H,22,27)
InChIKeyWVLXIYJMZIMAEV-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.03
Rot. Bonds8

About N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide

N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide (PubChem CID 122321055) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
PubChem CID122321055
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C19H24N6O2/c26-18(14-22-19(27)15-6-2-1-3-7-15)21-9-8-20-17-12-16(13-23-24-17)25-10-4-5-11-25/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,20,24)(H,21,26)(H,22,27)
InChIKeyWVLXIYJMZIMAEV-UHFFFAOYSA-N
XLogP1.03
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.03
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

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-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122321244
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 122321037
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321167
2-(4-methoxy-3-methylphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321241
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122321196
1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078
1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122321142
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122321151

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide (CID 122321055) is N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCNc1cc(N2CCCC2)cnn1.
What is the InChIKey of N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide?
The InChIKey is WVLXIYJMZIMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-18(14-22-19(27)15-6-2-1-3-7-15)21-9-8-20-17-12-16(13-23-24-17)25-10-4-5-11-25/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,20,24)(H,21,26)(H,22,27).
What are the key properties of N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide?
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide is sourced from PubChem (CID 122321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).