[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione

C17H24HgN4O4 — CID 143421285

IUPAC[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione
SMILESC=O.CNC1CCC(=O)NC1=O.Cc1c(C=[Hg])cccc1NC(=O)CN
InChIInChI=1S/C10H12N2O.C6H10N2O2.CH2O.Hg/c1-7-4-3-5-9(8(7)2)12-10(13)6-11;1-7-4-2-3-5(9)8-6(4)10;1-2;/h1,3-5H,6,11H2,2H3,(H,12,13);4,7H,2-3H2,1H3,(H,8,9,10);1H2;
InChIKeyXVOATFXYIDITJJ-UHFFFAOYSA-N
MW548.99 g/mol
LogP-0.58
Rot. Bonds4

About [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione

[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione (PubChem CID 143421285) has the molecular formula C17H24HgN4O4 and a molecular weight of 548.99 g/mol. Its IUPAC name is [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione
PubChem CID143421285
Molecular FormulaC17H24HgN4O4
Molecular Weight548.99 g/mol
Exact Mass550.15
IUPAC Name[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione
SMILESC=O.CNC1CCC(=O)NC1=O.Cc1c(C=[Hg])cccc1NC(=O)CN
InChIInChI=1S/C10H12N2O.C6H10N2O2.CH2O.Hg/c1-7-4-3-5-9(8(7)2)12-10(13)6-11;1-7-4-2-3-5(9)8-6(4)10;1-2;/h1,3-5H,6,11H2,2H3,(H,12,13);4,7H,2-3H2,1H3,(H,8,9,10);1H2;
InChIKeyXVOATFXYIDITJJ-UHFFFAOYSA-N
XLogP-0.58
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.99
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
CID 177365985
N-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylphenyl]propanamide;ethane
CID 153393794
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
CID 170953285
ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate
CID 97253621
ethyl N-[4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]phenyl]-N-methylcarbamate
CID 75397368
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743728
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
CID 143269994
N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide
CID 167048898

Frequently Asked Questions

What is the IUPAC name of [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione?
The IUPAC name of [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione (CID 143421285) is [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione.
What is the SMILES notation for [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione?
The canonical SMILES for [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione is C=O.CNC1CCC(=O)NC1=O.Cc1c(C=[Hg])cccc1NC(=O)CN.
What is the InChIKey of [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione?
The InChIKey is XVOATFXYIDITJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C6H10N2O2.CH2O.Hg/c1-7-4-3-5-9(8(7)2)12-10(13)6-11;1-7-4-2-3-5(9)8-6(4)10;1-2;/h1,3-5H,6,11H2,2H3,(H,12,13);4,7H,2-3H2,1H3,(H,8,9,10);1H2;.
What are the key properties of [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione?
[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione has a molecular weight of 548.99 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione is sourced from PubChem (CID 143421285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).