2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide

C12H10N4O5 — CID 122145951

IUPAC2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O5/c17-11-6-5-10(14-15-11)13-12(18)7-21-9-3-1-8(2-4-9)16(19)20/h1-6H,7H2,(H,15,17)(H,13,14,18)
InChIKeySADDEZGSSRUEOR-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.70
Rot. Bonds5

About 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide

2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide (PubChem CID 122145951) has the molecular formula C12H10N4O5 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide
PubChem CID122145951
Molecular FormulaC12H10N4O5
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C12H10N4O5/c17-11-6-5-10(14-15-11)13-12(18)7-21-9-3-1-8(2-4-9)16(19)20/h1-6H,7H2,(H,15,17)(H,13,14,18)
InChIKeySADDEZGSSRUEOR-UHFFFAOYSA-N
XLogP0.70
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide (CID 122145951) is 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
The InChIKey is SADDEZGSSRUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O5/c17-11-6-5-10(14-15-11)13-12(18)7-21-9-3-1-8(2-4-9)16(19)20/h1-6H,7H2,(H,15,17)(H,13,14,18).
What are the key properties of 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide?
2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide has a molecular weight of 290.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(6-oxo-1H-pyridazin-3-yl)acetamide is sourced from PubChem (CID 122145951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).