[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C14H14Cl2N4O5 — CID 41047572

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl2N4O5/c1-14(2)12(23)20(13(24)19-14)5-10(22)25-6-9(21)18-11-8(16)3-7(15)4-17-11/h3-4H,5-6H2,1-2H3,(H,19,24)(H,17,18,21)
InChIKeyQTVJFCDYESKHRE-UHFFFAOYSA-N
MW389.20 g/mol
LogP1.20
Rot. Bonds5

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 41047572) has the molecular formula C14H14Cl2N4O5 and a molecular weight of 389.20 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID41047572
Molecular FormulaC14H14Cl2N4O5
Molecular Weight389.20 g/mol
Exact Mass388.03
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)C1=O
InChIInChI=1S/C14H14Cl2N4O5/c1-14(2)12(23)20(13(24)19-14)5-10(22)25-6-9(21)18-11-8(16)3-7(15)4-17-11/h3-4H,5-6H2,1-2H3,(H,19,24)(H,17,18,21)
InChIKeyQTVJFCDYESKHRE-UHFFFAOYSA-N
XLogP1.20
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4656575
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 16299377
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 16300662
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 24981747
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] propanoate
CID 2100853
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 5214168
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methylcyclopropane-1-carboxylate
CID 16525190
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24677761
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclobutanecarboxylate
CID 24686077
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 24687052
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691139
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863291

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 41047572) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)C1=O.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is QTVJFCDYESKHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O5/c1-14(2)12(23)20(13(24)19-14)5-10(22)25-6-9(21)18-11-8(16)3-7(15)4-17-11/h3-4H,5-6H2,1-2H3,(H,19,24)(H,17,18,21).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 389.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 41047572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).