6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide

C19H16N4O3 — CID 133313253

IUPAC6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N4O3/c1-13(24)20-15-7-9-16(10-8-15)26-18-12-11-17(22-23-18)19(25)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,24)(H,21,25)
InChIKeyARQCEPQCGNZBDM-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.48
Rot. Bonds5

About 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide

6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide (PubChem CID 133313253) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
PubChem CID133313253
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N4O3/c1-13(24)20-15-7-9-16(10-8-15)26-18-12-11-17(22-23-18)19(25)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,24)(H,21,25)
InChIKeyARQCEPQCGNZBDM-UHFFFAOYSA-N
XLogP3.48
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide (CID 133313253) is 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide is CC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccccc3)nn2)cc1.
What is the InChIKey of 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide?
The InChIKey is ARQCEPQCGNZBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-13(24)20-15-7-9-16(10-8-15)26-18-12-11-17(22-23-18)19(25)21-14-5-3-2-4-6-14/h2-12H,1H3,(H,20,24)(H,21,25).
What are the key properties of 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide?
6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidophenoxy)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).