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

C21H15N3O — CID 102129226

IUPAC3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H15N3O/c25-21(23-20-9-4-12-22-24-20)19-8-3-7-17(14-19)18-11-10-15-5-1-2-6-16(15)13-18/h1-14H,(H,23,24,25)
InChIKeyBAHARDUSWCCFJE-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.55
Rot. Bonds3

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

3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide (PubChem CID 102129226) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide
PubChem CID102129226
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide
SMILESO=C(Nc1cccnn1)c1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H15N3O/c25-21(23-20-9-4-12-22-24-20)19-8-3-7-17(14-19)18-11-10-15-5-1-2-6-16(15)13-18/h1-14H,(H,23,24,25)
InChIKeyBAHARDUSWCCFJE-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-3-ylbenzamide?
The IUPAC name of 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide (CID 102129226) is 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide.
What is the SMILES notation for 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide?
The canonical SMILES for 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide is O=C(Nc1cccnn1)c1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide?
The InChIKey is BAHARDUSWCCFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(23-20-9-4-12-22-24-20)19-8-3-7-17(14-19)18-11-10-15-5-1-2-6-16(15)13-18/h1-14H,(H,23,24,25).
What are the key properties of 3-naphthalen-2-yl-N-pyridazin-3-ylbenzamide?
3-naphthalen-2-yl-N-pyridazin-3-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-3-ylbenzamide is sourced from PubChem (CID 102129226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).