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

C19H17ClN4O3 — CID 42143129

IUPAC2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C19H17ClN4O3/c20-15-1-3-16(4-2-15)27-13-18(25)22-11-12-24-19(26)6-5-17(23-24)14-7-9-21-10-8-14/h1-10H,11-13H2,(H,22,25)
InChIKeyLASAEMOECZTBGP-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.15
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 42143129) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID42143129
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCn1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C19H17ClN4O3/c20-15-1-3-16(4-2-15)27-13-18(25)22-11-12-24-19(26)6-5-17(23-24)14-7-9-21-10-8-14/h1-10H,11-13H2,(H,22,25)
InChIKeyLASAEMOECZTBGP-UHFFFAOYSA-N
XLogP2.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide (CID 42143129) is 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCn1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is LASAEMOECZTBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-15-1-3-16(4-2-15)27-13-18(25)22-11-12-24-19(26)6-5-17(23-24)14-7-9-21-10-8-14/h1-10H,11-13H2,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 384.82 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 42143129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).