N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H14N4O4 — CID 103145646

IUPACN-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H14N4O4/c1-7-6-11(17(20)21)8(2)5-10(7)14-13(19)9-3-4-12(18)16-15-9/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyFBIAIMOFLZWSRT-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.42
Rot. Bonds3

About N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 103145646) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID103145646
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C13H14N4O4/c1-7-6-11(17(20)21)8(2)5-10(7)14-13(19)9-3-4-12(18)16-15-9/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyFBIAIMOFLZWSRT-UHFFFAOYSA-N
XLogP1.42
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-chloro-N-(2,5-dimethyl-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 103145314
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316
N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467849
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
N-(2,5-dimethyl-4-nitrophenyl)-2-fluorobenzamide
CID 103145312
3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145444
5-chloro-N-(2,4-dimethyl-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 104757678
N-(2,5-dimethyl-4-nitrophenyl)prop-2-enamide
CID 70500560
2-(azetidin-3-ylidene)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145331
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443
2-amino-N-(2,5-dimethyl-4-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103145462

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 103145646) is N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is FBIAIMOFLZWSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-7-6-11(17(20)21)8(2)5-10(7)14-13(19)9-3-4-12(18)16-15-9/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103145646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).