2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide

C18H17N5O2 — CID 113041994

IUPAC2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H17N5O2/c24-18(13-25-15-7-2-1-3-8-15)21-17-10-9-16(22-23-17)20-12-14-6-4-5-11-19-14/h1-11H,12-13H2,(H,20,22)(H,21,23,24)
InChIKeyUBOFWWHANNKSFD-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.50
Rot. Bonds7

About 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide

2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide (PubChem CID 113041994) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
PubChem CID113041994
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H17N5O2/c24-18(13-25-15-7-2-1-3-8-15)21-17-10-9-16(22-23-17)20-12-14-6-4-5-11-19-14/h1-11H,12-13H2,(H,20,22)(H,21,23,24)
InChIKeyUBOFWWHANNKSFD-UHFFFAOYSA-N
XLogP2.50
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042788
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047377
2-phenoxy-N-[2-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]acetamide
CID 75490207

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide (CID 113041994) is 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide is O=C(COc1ccccc1)Nc1ccc(NCc2ccccn2)nn1.
What is the InChIKey of 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
The InChIKey is UBOFWWHANNKSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-18(13-25-15-7-2-1-3-8-15)21-17-10-9-16(22-23-17)20-12-14-6-4-5-11-19-14/h1-11H,12-13H2,(H,20,22)(H,21,23,24).
What are the key properties of 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113041994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).