N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C19H16N4O5 — CID 26719395

IUPACN-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C19H16N4O5/c24-18-10-9-17(19(25)20-14-5-4-6-15(13-14)23(26)27)21-22(18)11-12-28-16-7-2-1-3-8-16/h1-10,13H,11-12H2,(H,20,25)
InChIKeyDWOZYNVNTMKNOS-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.48
Rot. Bonds7

About N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 26719395) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID26719395
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC NameN-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C19H16N4O5/c24-18-10-9-17(19(25)20-14-5-4-6-15(13-14)23(26)27)21-22(18)11-12-28-16-7-2-1-3-8-16/h1-10,13H,11-12H2,(H,20,25)
InChIKeyDWOZYNVNTMKNOS-UHFFFAOYSA-N
XLogP2.48
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55956780
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55855876

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 26719395) is N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is DWOZYNVNTMKNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c24-18-10-9-17(19(25)20-14-5-4-6-15(13-14)23(26)27)21-22(18)11-12-28-16-7-2-1-3-8-16/h1-10,13H,11-12H2,(H,20,25).
What are the key properties of N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 380.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 26719395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).