1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide

C14H14N4O4 — CID 121066878

IUPAC1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1=O
InChIInChI=1S/C14H14N4O4/c1-3-17-13(19)7-6-11(16-17)14(20)15-12-8-10(18(21)22)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,15,20)
InChIKeyWKPMPDGTPXHABT-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide

1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 121066878) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID121066878
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1=O
InChIInChI=1S/C14H14N4O4/c1-3-17-13(19)7-6-11(16-17)14(20)15-12-8-10(18(21)22)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,15,20)
InChIKeyWKPMPDGTPXHABT-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

1-butyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 39753441
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 121051950
1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
CID 113229838
N-(2-methyl-5-nitrophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536892
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
CID 103610887
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163
1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
CID 43025487
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
N-[2-methyl-5-(propanoylamino)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 46467564

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide (CID 121066878) is 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1=O.
What is the InChIKey of 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is WKPMPDGTPXHABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-3-17-13(19)7-6-11(16-17)14(20)15-12-8-10(18(21)22)5-4-9(12)2/h4-8H,3H2,1-2H3,(H,15,20).
What are the key properties of 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide?
1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methyl-5-nitrophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121066878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).