2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide

C20H19ClN4O3 — CID 42143649

IUPAC2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C20H19ClN4O3/c21-16-4-6-17(7-5-16)28-14-19(26)23-11-2-12-25-20(27)9-8-18(24-25)15-3-1-10-22-13-15/h1,3-10,13H,2,11-12,14H2,(H,23,26)
InChIKeyFSNHDZVLIOGBNC-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.54
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide

2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide (PubChem CID 42143649) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide
PubChem CID42143649
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C20H19ClN4O3/c21-16-4-6-17(7-5-16)28-14-19(26)23-11-2-12-25-20(27)9-8-18(24-25)15-3-1-10-22-13-15/h1,3-10,13H,2,11-12,14H2,(H,23,26)
InChIKeyFSNHDZVLIOGBNC-UHFFFAOYSA-N
XLogP2.54
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide (CID 42143649) is 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide?
The InChIKey is FSNHDZVLIOGBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-16-4-6-17(7-5-16)28-14-19(26)23-11-2-12-25-20(27)9-8-18(24-25)15-3-1-10-22-13-15/h1,3-10,13H,2,11-12,14H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide?
2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide is sourced from PubChem (CID 42143649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).