2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide

C20H19ClN4O3 — CID 42142801

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCn2nc(-c3cccnc3)ccc2=O)ccc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-14-11-16(4-5-17(14)21)28-13-19(26)23-9-10-25-20(27)7-6-18(24-25)15-3-2-8-22-12-15/h2-8,11-12H,9-10,13H2,1H3,(H,23,26)
InChIKeyIOZFQNLTKXFFOZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.46
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 42142801) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID42142801
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCn2nc(-c3cccnc3)ccc2=O)ccc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-14-11-16(4-5-17(14)21)28-13-19(26)23-9-10-25-20(27)7-6-18(24-25)15-3-2-8-22-12-15/h2-8,11-12H,9-10,13H2,1H3,(H,23,26)
InChIKeyIOZFQNLTKXFFOZ-UHFFFAOYSA-N
XLogP2.46
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide (CID 42142801) is 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide is Cc1cc(OCC(=O)NCCn2nc(-c3cccnc3)ccc2=O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is IOZFQNLTKXFFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-14-11-16(4-5-17(14)21)28-13-19(26)23-9-10-25-20(27)7-6-18(24-25)15-3-2-8-22-12-15/h2-8,11-12H,9-10,13H2,1H3,(H,23,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 42142801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).