2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide

C16H14N6O5 — CID 86607663

IUPAC2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
SMILESC[C@]1(N2C(=O)c3cccc(NC(=O)CN=[N+]=[N-])c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C16H14N6O5/c1-16(6-5-10(23)20-15(16)27)22-13(25)8-3-2-4-9(12(8)14(22)26)19-11(24)7-18-21-17/h2-4H,5-7H2,1H3,(H,19,24)(H,20,23,27)/t16-/m0/s1
InChIKeyWVJWSIRMRABLTH-INIZCTEOSA-N
MW370.33 g/mol
LogP0.73
Rot. Bonds4

About 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide

2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 86607663) has the molecular formula C16H14N6O5 and a molecular weight of 370.33 g/mol. Its IUPAC name is 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID86607663
Molecular FormulaC16H14N6O5
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
SMILESC[C@]1(N2C(=O)c3cccc(NC(=O)CN=[N+]=[N-])c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C16H14N6O5/c1-16(6-5-10(23)20-15(16)27)22-13(25)8-3-2-4-9(12(8)14(22)26)19-11(24)7-18-21-17/h2-4H,5-7H2,1H3,(H,19,24)(H,20,23,27)/t16-/m0/s1
InChIKeyWVJWSIRMRABLTH-INIZCTEOSA-N
XLogP0.73
TPSA161.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 146673338
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
4-azido-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide
CID 155292467
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 163335680
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-N'-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-methylidenebutanediamide
CID 156769887
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide (CID 86607663) is 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide is C[C@]1(N2C(=O)c3cccc(NC(=O)CN=[N+]=[N-])c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is WVJWSIRMRABLTH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14N6O5/c1-16(6-5-10(23)20-15(16)27)22-13(25)8-3-2-4-9(12(8)14(22)26)19-11(24)7-18-21-17/h2-4H,5-7H2,1H3,(H,19,24)(H,20,23,27)/t16-/m0/s1.
What are the key properties of 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide?
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 370.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 86607663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).