N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C17H19N3O4 — CID 653494

IUPACN-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1COCCO1
InChIInChI=1S/C17H19N3O4/c21-16(18-10-14-12-23-8-9-24-14)11-20-17(22)7-6-15(19-20)13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,18,21)
InChIKeyRMZJUCKEEMTRCS-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.44
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 653494) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID653494
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1COCCO1
InChIInChI=1S/C17H19N3O4/c21-16(18-10-14-12-23-8-9-24-14)11-20-17(22)7-6-15(19-20)13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,18,21)
InChIKeyRMZJUCKEEMTRCS-UHFFFAOYSA-N
XLogP0.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 4060999
2-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
CID 4061012
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3235823
N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3243756
2-[3-(4-Chloro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-[1,4]dioxan-2-ylmethyl-acetamide
CID 24792340
2-(2-morpholino-2-oxoethyl)-6-phenylpyridazin-3(2H)-one
CID 5053337
N-(2-Methoxy-ethyl)-2-(6-oxo-3-p-tolyl-6H-pyridazin-1-yl)-acetamide
CID 3154555
N-(2-Methoxy-ethyl)-2-(6-oxo-3-o-tolyl-6H-pyridazin-1-yl)-acetamide
CID 3224443
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 3224523
3(2H)-Pyridazinone, 4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 200792
3(2H)-Pyridazinone, 4-methyl-2-(morpholinocarbonylmethyl)-6-phenyl-
CID 207645
N-(3-isopropoxypropyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3239892

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 653494) is N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is RMZJUCKEEMTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16(18-10-14-12-23-8-9-24-14)11-20-17(22)7-6-15(19-20)13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,18,21).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 653494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).