N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide

C18H14N4O4 — CID 7422510

IUPACN-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)nn1
InChIInChI=1S/C18H14N4O4/c1-26-17-9-8-16(20-21-17)12-4-2-6-14(10-12)19-18(23)13-5-3-7-15(11-13)22(24)25/h2-11H,1H3,(H,19,23)
InChIKeyBNPUAUAFDRIWHN-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.31
Rot. Bonds5

About N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide

N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide (PubChem CID 7422510) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
PubChem CID7422510
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)nn1
InChIInChI=1S/C18H14N4O4/c1-26-17-9-8-16(20-21-17)12-4-2-6-14(10-12)19-18(23)13-5-3-7-15(11-13)22(24)25/h2-11H,1H3,(H,19,23)
InChIKeyBNPUAUAFDRIWHN-UHFFFAOYSA-N
XLogP3.31
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.31
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-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 26841756
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3-nitrobenzamide
CID 7593622
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
propan-2-yl 3-[(3-nitrobenzoyl)amino]benzoate
CID 23849037
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide (CID 7422510) is N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide is COc1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)nn1.
What is the InChIKey of N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide?
The InChIKey is BNPUAUAFDRIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-26-17-9-8-16(20-21-17)12-4-2-6-14(10-12)19-18(23)13-5-3-7-15(11-13)22(24)25/h2-11H,1H3,(H,19,23).
What are the key properties of N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide?
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide has a molecular weight of 350.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 7422510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).