3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide

C17H20N4O3 — CID 156607565

IUPAC3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)N1CCC(O)C1
InChIInChI=1S/C17H20N4O3/c22-14-8-10-20(12-14)17(24)18-9-11-21-16(23)7-6-15(19-21)13-4-2-1-3-5-13/h1-7,14,22H,8-12H2,(H,18,24)
InChIKeyRIJFLYFOXMWRHR-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.69
Rot. Bonds4

About 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide

3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 156607565) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID156607565
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1nc(-c2ccccc2)ccc1=O)N1CCC(O)C1
InChIInChI=1S/C17H20N4O3/c22-14-8-10-20(12-14)17(24)18-9-11-21-16(23)7-6-15(19-21)13-4-2-1-3-5-13/h1-7,14,22H,8-12H2,(H,18,24)
InChIKeyRIJFLYFOXMWRHR-UHFFFAOYSA-N
XLogP0.69
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 126429373
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 97147749
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 134127682
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
(1S,6R,7R)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254766
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 72905394

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 156607565) is 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1nc(-c2ccccc2)ccc1=O)N1CCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is RIJFLYFOXMWRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-14-8-10-20(12-14)17(24)18-9-11-21-16(23)7-6-15(19-21)13-4-2-1-3-5-13/h1-7,14,22H,8-12H2,(H,18,24).
What are the key properties of 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide?
3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 156607565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).