2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide

C23H21N7O4 — CID 175968747

IUPAC2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide
SMILES[N-]=[N+]=NCC1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H21N7O4/c24-28-25-11-16-10-13-3-1-2-4-18(13)30(16)23(34)26-15-5-6-17-14(9-15)12-29(22(17)33)19-7-8-20(31)27-21(19)32/h1-6,9,16,19H,7-8,10-12H2,(H,26,34)(H,27,31,32)
InChIKeyCVEBWEFIGCCARB-UHFFFAOYSA-N
MW459.47 g/mol
LogP2.72
Rot. Bonds4

About 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide

2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 175968747) has the molecular formula C23H21N7O4 and a molecular weight of 459.47 g/mol. Its IUPAC name is 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID175968747
Molecular FormulaC23H21N7O4
Molecular Weight459.47 g/mol
Exact Mass459.17
IUPAC Name2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide
SMILES[N-]=[N+]=NCC1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H21N7O4/c24-28-25-11-16-10-13-3-1-2-4-18(13)30(16)23(34)26-15-5-6-17-14(9-15)12-29(22(17)33)19-7-8-20(31)27-21(19)32/h1-6,9,16,19H,7-8,10-12H2,(H,26,34)(H,27,31,32)
InChIKeyCVEBWEFIGCCARB-UHFFFAOYSA-N
XLogP2.72
TPSA147.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydroindole-1-carboxamide
CID 175968724
(2R)-N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 175968705
N-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 176766770
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
CID 177187974
N-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 176766825
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 176766826
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-(1H-indol-2-yl)acetamide
CID 177188173
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864
2-(4-aminocyclohexyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 175806262
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylmorpholine-4-carboxamide
CID 166426751

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide (CID 175968747) is 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide is [N-]=[N+]=NCC1Cc2ccccc2N1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is CVEBWEFIGCCARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O4/c24-28-25-11-16-10-13-3-1-2-4-18(13)30(16)23(34)26-15-5-6-17-14(9-15)12-29(22(17)33)19-7-8-20(31)27-21(19)32/h1-6,9,16,19H,7-8,10-12H2,(H,26,34)(H,27,31,32).
What are the key properties of 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide?
2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 175968747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).