3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide

C18H16N4O2 — CID 134330495

IUPAC3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide
SMILESNCc1cnnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C18H16N4O2/c19-11-13-9-17(22-20-12-13)24-16-8-4-5-14(10-16)18(23)21-15-6-2-1-3-7-15/h1-10,12H,11,19H2,(H,21,23)
InChIKeyYUMQKJJCXTUHCO-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.98
Rot. Bonds5

About 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide

3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide (PubChem CID 134330495) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide
PubChem CID134330495
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide
SMILESNCc1cnnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C18H16N4O2/c19-11-13-9-17(22-20-12-13)24-16-8-4-5-14(10-16)18(23)21-15-6-2-1-3-7-15/h1-10,12H,11,19H2,(H,21,23)
InChIKeyYUMQKJJCXTUHCO-UHFFFAOYSA-N
XLogP2.98
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide?
The IUPAC name of 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide (CID 134330495) is 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide is NCc1cnnc(Oc2cccc(C(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide?
The InChIKey is YUMQKJJCXTUHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-11-13-9-17(22-20-12-13)24-16-8-4-5-14(10-16)18(23)21-15-6-2-1-3-7-15/h1-10,12H,11,19H2,(H,21,23).
What are the key properties of 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide?
3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide has a molecular weight of 320.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)pyridazin-3-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 134330495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).