2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride

C16H20ClN3O3 — CID 56603501

IUPAC2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-3-10-17-15(20)11-19-16(21)9-8-13(18-19)12-6-4-5-7-14(12)22-2;/h4-9H,3,10-11H2,1-2H3,(H,17,20);1H
InChIKeyLYKHBPYWZWHXHI-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.87
Rot. Bonds6

About 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride

2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride (PubChem CID 56603501) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride
PubChem CID56603501
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-3-10-17-15(20)11-19-16(21)9-8-13(18-19)12-6-4-5-7-14(12)22-2;/h4-9H,3,10-11H2,1-2H3,(H,17,20);1H
InChIKeyLYKHBPYWZWHXHI-UHFFFAOYSA-N
XLogP1.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride (CID 56603501) is 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride is CCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O.Cl.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride?
The InChIKey is LYKHBPYWZWHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-3-10-17-15(20)11-19-16(21)9-8-13(18-19)12-6-4-5-7-14(12)22-2;/h4-9H,3,10-11H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride?
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 56603501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).