N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C26H22N4O5 — CID 167916257

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C26H22N4O5/c31-23(15-30-24(32)26(29-25(30)33)11-10-16-4-1-2-5-18(16)26)28-22-7-3-6-19(27-22)17-8-9-20-21(14-17)35-13-12-34-20/h1-9,14H,10-13,15H2,(H,29,33)(H,27,28,31)
InChIKeyAIVWGWZYUCQTSH-UHFFFAOYSA-N
MW470.49 g/mol
LogP2.85
Rot. Bonds4

About N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 167916257) has the molecular formula C26H22N4O5 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID167916257
Molecular FormulaC26H22N4O5
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C26H22N4O5/c31-23(15-30-24(32)26(29-25(30)33)11-10-16-4-1-2-5-18(16)26)28-22-7-3-6-19(27-22)17-8-9-20-21(14-17)35-13-12-34-20/h1-9,14H,10-13,15H2,(H,29,33)(H,27,28,31)
InChIKeyAIVWGWZYUCQTSH-UHFFFAOYSA-N
XLogP2.85
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 41189006
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 46452061
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 40986089
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112766229
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethylacetamide
CID 46554956
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 92786778
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 92786777
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-fluorophenyl)acetamide
CID 24979383
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 167916257) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is AIVWGWZYUCQTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5/c31-23(15-30-24(32)26(29-25(30)33)11-10-16-4-1-2-5-18(16)26)28-22-7-3-6-19(27-22)17-8-9-20-21(14-17)35-13-12-34-20/h1-9,14H,10-13,15H2,(H,29,33)(H,27,28,31).
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 470.49 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 167916257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).