6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide

C20H19N3O3 — CID 133365943

IUPAC6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Oc2ccc3ccccc3c2)nn1
InChIInChI=1S/C20H19N3O3/c24-20(21-16-9-11-25-12-10-16)18-7-8-19(23-22-18)26-17-6-5-14-3-1-2-4-15(14)13-17/h1-8,13,16H,9-12H2,(H,21,24)
InChIKeyLVMYHZZSRKSIBB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.33
Rot. Bonds4

About 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide

6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133365943) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133365943
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Oc2ccc3ccccc3c2)nn1
InChIInChI=1S/C20H19N3O3/c24-20(21-16-9-11-25-12-10-16)18-7-8-19(23-22-18)26-17-6-5-14-3-1-2-4-15(14)13-17/h1-8,13,16H,9-12H2,(H,21,24)
InChIKeyLVMYHZZSRKSIBB-UHFFFAOYSA-N
XLogP3.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133365943) is 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(Oc2ccc3ccccc3c2)nn1.
What is the InChIKey of 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is LVMYHZZSRKSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20(21-16-9-11-25-12-10-16)18-7-8-19(23-22-18)26-17-6-5-14-3-1-2-4-15(14)13-17/h1-8,13,16H,9-12H2,(H,21,24).
What are the key properties of 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yloxy-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133365943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).