N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide

C20H18N4O5 — CID 7708075

IUPACN-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O5/c1-3-29-15-7-8-16(17(12-15)24(27)28)21-20(26)19-18(25)9-10-23(22-19)14-6-4-5-13(2)11-14/h4-12H,3H2,1-2H3,(H,21,26)
InChIKeyHBNJEPRQBIBPNT-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.10
Rot. Bonds6

About N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide

N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 7708075) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID7708075
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O5/c1-3-29-15-7-8-16(17(12-15)24(27)28)21-20(26)19-18(25)9-10-23(22-19)14-6-4-5-13(2)11-14/h4-12H,3H2,1-2H3,(H,21,26)
InChIKeyHBNJEPRQBIBPNT-UHFFFAOYSA-N
XLogP3.10
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.10
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

2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901
methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63981532
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N-(4-ethoxy-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416918
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7692939
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
2-(2,5-dimethylphenyl)sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 35986495
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
N-(4-ethoxy-2-nitrophenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476108
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 19525497

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 7708075) is N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is HBNJEPRQBIBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-3-29-15-7-8-16(17(12-15)24(27)28)21-20(26)19-18(25)9-10-23(22-19)14-6-4-5-13(2)11-14/h4-12H,3H2,1-2H3,(H,21,26).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 394.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7708075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).