N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide

C14H14N4O4 — CID 34653227

IUPACN-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O4/c1-3-9-4-5-10(8-12(9)18(21)22)15-14(20)11-6-7-13(19)17(2)16-11/h4-8H,3H2,1-2H3,(H,15,20)
InChIKeyCGIKZKFZYAORDX-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.50
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 34653227) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID34653227
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O4/c1-3-9-4-5-10(8-12(9)18(21)22)15-14(20)11-6-7-13(19)17(2)16-11/h4-8H,3H2,1-2H3,(H,15,20)
InChIKeyCGIKZKFZYAORDX-UHFFFAOYSA-N
XLogP1.50
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
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

N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
N-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 86925257
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068
2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
N-[3-(ethylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150164
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 34653227) is N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is CGIKZKFZYAORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-3-9-4-5-10(8-12(9)18(21)22)15-14(20)11-6-7-13(19)17(2)16-11/h4-8H,3H2,1-2H3,(H,15,20).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 34653227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).