N-(6-methylpyridazin-3-yl)-2-nitrobenzamide

C12H10N4O3 — CID 176835874

IUPACN-(6-methylpyridazin-3-yl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C12H10N4O3/c1-8-6-7-11(15-14-8)13-12(17)9-4-2-3-5-10(9)16(18)19/h2-7H,1H3,(H,13,15,17)
InChIKeyFPSAMRUZARKUMR-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.95
Rot. Bonds3

About N-(6-methylpyridazin-3-yl)-2-nitrobenzamide

N-(6-methylpyridazin-3-yl)-2-nitrobenzamide (PubChem CID 176835874) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-(6-methylpyridazin-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(6-methylpyridazin-3-yl)-2-nitrobenzamide
PubChem CID176835874
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-(6-methylpyridazin-3-yl)-2-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C12H10N4O3/c1-8-6-7-11(15-14-8)13-12(17)9-4-2-3-5-10(9)16(18)19/h2-7H,1H3,(H,13,15,17)
InChIKeyFPSAMRUZARKUMR-UHFFFAOYSA-N
XLogP1.95
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
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

2-amino-N-(6-methylpyridazin-3-yl)benzamide
CID 176835878
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzamide
CID 79733435
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7193011
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
[(2-nitrobenzoyl)amino]urea
CID 61061190
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
CID 5170199
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-nitrobenzamide
CID 122302915
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
2-nitro-N-(3-oxobutan-2-yl)benzamide
CID 64997071

Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyridazin-3-yl)-2-nitrobenzamide?
The IUPAC name of N-(6-methylpyridazin-3-yl)-2-nitrobenzamide (CID 176835874) is N-(6-methylpyridazin-3-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(6-methylpyridazin-3-yl)-2-nitrobenzamide?
The canonical SMILES for N-(6-methylpyridazin-3-yl)-2-nitrobenzamide is Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])nn1.
What is the InChIKey of N-(6-methylpyridazin-3-yl)-2-nitrobenzamide?
The InChIKey is FPSAMRUZARKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-8-6-7-11(15-14-8)13-12(17)9-4-2-3-5-10(9)16(18)19/h2-7H,1H3,(H,13,15,17).
What are the key properties of N-(6-methylpyridazin-3-yl)-2-nitrobenzamide?
N-(6-methylpyridazin-3-yl)-2-nitrobenzamide has a molecular weight of 258.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyridazin-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 176835874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).