3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide

C21H15N3O — CID 118722843

IUPAC3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H15N3O/c25-21(24-20-10-11-22-23-14-20)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,22,24,25)
InChIKeyIZLNWGVHMFIAPD-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.55
Rot. Bonds3

About 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide

3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide (PubChem CID 118722843) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide
PubChem CID118722843
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H15N3O/c25-21(24-20-10-11-22-23-14-20)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,22,24,25)
InChIKeyIZLNWGVHMFIAPD-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide?
The IUPAC name of 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide (CID 118722843) is 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide?
The InChIKey is IZLNWGVHMFIAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(24-20-10-11-22-23-14-20)19-7-3-6-17(13-19)18-9-8-15-4-1-2-5-16(15)12-18/h1-14H,(H,22,24,25).
What are the key properties of 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide?
3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 118722843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).