3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide

C16H11N5O4 — CID 157043039

IUPAC3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Oc2ccnnc2)ccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H11N5O4/c22-16(11-2-1-3-12(8-11)21(23)24)20-15-9-13(4-6-17-15)25-14-5-7-18-19-10-14/h1-10H,(H,17,20,22)
InChIKeyVQJOGGRDSDGLDN-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.82
Rot. Bonds5

About 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide

3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide (PubChem CID 157043039) has the molecular formula C16H11N5O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide
PubChem CID157043039
Molecular FormulaC16H11N5O4
Molecular Weight337.30 g/mol
Exact Mass337.08
IUPAC Name3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide
SMILESO=C(Nc1cc(Oc2ccnnc2)ccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H11N5O4/c22-16(11-2-1-3-12(8-11)21(23)24)20-15-9-13(4-6-17-15)25-14-5-7-18-19-10-14/h1-10H,(H,17,20,22)
InChIKeyVQJOGGRDSDGLDN-UHFFFAOYSA-N
XLogP2.82
TPSA120.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide
CID 157042670
N-[4-(hydroxymethyl)-2-pyridinyl]-3-nitrobenzamide
CID 82343569
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
CID 63651069
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
4-chloro-N-(4-nitro-2-pyridinyl)benzamide
CID 3011452
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
3-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76848987
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide?
The IUPAC name of 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide (CID 157043039) is 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide is O=C(Nc1cc(Oc2ccnnc2)ccn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide?
The InChIKey is VQJOGGRDSDGLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O4/c22-16(11-2-1-3-12(8-11)21(23)24)20-15-9-13(4-6-17-15)25-14-5-7-18-19-10-14/h1-10H,(H,17,20,22).
What are the key properties of 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide?
3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide has a molecular weight of 337.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide is sourced from PubChem (CID 157043039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).