N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C17H19N3O4 — CID 94824432

IUPACN-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NO[C@@H]1CCCCO1
InChIInChI=1S/C17H19N3O4/c21-15(19-24-17-8-4-5-11-23-17)12-20-16(22)10-9-14(18-20)13-6-2-1-3-7-13/h1-3,6-7,9-10,17H,4-5,8,11-12H2,(H,19,21)/t17-/m1/s1
InChIKeyPUQRVAQNHLSVSD-QGZVFWFLSA-N
MW329.36 g/mol
LogP1.48
Rot. Bonds5

About N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 94824432) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID94824432
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NO[C@@H]1CCCCO1
InChIInChI=1S/C17H19N3O4/c21-15(19-24-17-8-4-5-11-23-17)12-20-16(22)10-9-14(18-20)13-6-2-1-3-7-13/h1-3,6-7,9-10,17H,4-5,8,11-12H2,(H,19,21)/t17-/m1/s1
InChIKeyPUQRVAQNHLSVSD-QGZVFWFLSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52995964
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 51373175
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
N-(oxolan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884409
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51044347
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55824767
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 94824432) is N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NO[C@@H]1CCCCO1.
What is the InChIKey of N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is PUQRVAQNHLSVSD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-15(19-24-17-8-4-5-11-23-17)12-20-16(22)10-9-14(18-20)13-6-2-1-3-7-13/h1-3,6-7,9-10,17H,4-5,8,11-12H2,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 94824432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).