N-pyridazin-4-ylbenzamide

C11H9N3O — CID 21059017

IUPACN-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-7-12-13-8-10/h1-8H,(H,12,14,15)
InChIKeyNMMBBJMCVVPDPA-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.73
Rot. Bonds2

About N-pyridazin-4-ylbenzamide

N-pyridazin-4-ylbenzamide (PubChem CID 21059017) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound NameN-pyridazin-4-ylbenzamide
PubChem CID21059017
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1ccccc1
InChIInChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-7-12-13-8-10/h1-8H,(H,12,14,15)
InChIKeyNMMBBJMCVVPDPA-UHFFFAOYSA-N
XLogP1.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-ylbenzamide?
The IUPAC name of N-pyridazin-4-ylbenzamide (CID 21059017) is N-pyridazin-4-ylbenzamide.
What is the SMILES notation for N-pyridazin-4-ylbenzamide?
The canonical SMILES for N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1ccccc1.
What is the InChIKey of N-pyridazin-4-ylbenzamide?
The InChIKey is NMMBBJMCVVPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-7-12-13-8-10/h1-8H,(H,12,14,15).
What are the key properties of N-pyridazin-4-ylbenzamide?
N-pyridazin-4-ylbenzamide has a molecular weight of 199.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 21059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).