1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide

C17H20N4O4 — CID 136518886

IUPAC1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)C1=NN(CCO)C(=O)CC1
InChIInChI=1S/C17H20N4O4/c22-11-10-21-16(24)8-7-13(19-21)17(25)18-12-4-1-2-5-14(12)20-9-3-6-15(20)23/h1-2,4-5,22H,3,6-11H2,(H,18,25)
InChIKeyASHPDSCZQFIUOH-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.72
Rot. Bonds5

About 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide

1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 136518886) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID136518886
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)C1=NN(CCO)C(=O)CC1
InChIInChI=1S/C17H20N4O4/c22-11-10-21-16(24)8-7-13(19-21)17(25)18-12-4-1-2-5-14(12)20-9-3-6-15(20)23/h1-2,4-5,22H,3,6-11H2,(H,18,25)
InChIKeyASHPDSCZQFIUOH-UHFFFAOYSA-N
XLogP0.72
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide (CID 136518886) is 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccccc1N1CCCC1=O)C1=NN(CCO)C(=O)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is ASHPDSCZQFIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-11-10-21-16(24)8-7-13(19-21)17(25)18-12-4-1-2-5-14(12)20-9-3-6-15(20)23/h1-2,4-5,22H,3,6-11H2,(H,18,25).
What are the key properties of 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide?
1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 136518886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).