N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C17H21N3O3 — CID 3243756

IUPACN-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-13-4-6-14(7-5-13)15-8-9-17(22)20(19-15)12-16(21)18-10-3-11-23-2/h4-9H,3,10-12H2,1-2H3,(H,18,21)
InChIKeyIEMFYTGRIHYRFZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.37
Rot. Bonds7

About N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3243756) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3243756
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C17H21N3O3/c1-13-4-6-14(7-5-13)15-8-9-17(22)20(19-15)12-16(21)18-10-3-11-23-2/h4-9H,3,10-12H2,1-2H3,(H,18,21)
InChIKeyIEMFYTGRIHYRFZ-UHFFFAOYSA-N
XLogP1.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3243756) is N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is COCCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IEMFYTGRIHYRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-4-6-14(7-5-13)15-8-9-17(22)20(19-15)12-16(21)18-10-3-11-23-2/h4-9H,3,10-12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3243756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).