N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide

C17H17N5O5 — CID 56506442

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccn2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C17H17N5O5/c1-17(12-6-2-3-7-18-12)14(24)22(16(26)21-17)10-13(23)20-15(25)19-9-11-5-4-8-27-11/h2-8H,9-10H2,1H3,(H,21,26)(H2,19,20,23,25)
InChIKeyMMSITTNYQLLFMX-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.47
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide

N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide (PubChem CID 56506442) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
PubChem CID56506442
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccn2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C17H17N5O5/c1-17(12-6-2-3-7-18-12)14(24)22(16(26)21-17)10-13(23)20-15(25)19-9-11-5-4-8-27-11/h2-8H,9-10H2,1H3,(H,21,26)(H2,19,20,23,25)
InChIKeyMMSITTNYQLLFMX-UHFFFAOYSA-N
XLogP0.47
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2583031
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7884082
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 95322694
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 2705893
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 56506448
2-[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 75389689
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56506181
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
N-(furan-2-ylmethyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138856
N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43348702

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide (CID 56506442) is N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide is CC1(c2ccccn2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is MMSITTNYQLLFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-17(12-6-2-3-7-18-12)14(24)22(16(26)21-17)10-13(23)20-15(25)19-9-11-5-4-8-27-11/h2-8H,9-10H2,1H3,(H,21,26)(H2,19,20,23,25).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 371.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 56506442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).