N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide

C24H23N5O5 — CID 138611897

IUPACN-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide
SMILESO=CNc1ccc(C(=O)N2CC(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C2)cc1
InChIInChI=1S/C24H23N5O5/c30-13-25-15-6-4-14(5-7-15)23(33)28-10-16(11-28)26-19-3-1-2-17-18(19)12-29(24(17)34)20-8-9-21(31)27-22(20)32/h1-7,13,16,20,26H,8-12H2,(H,25,30)(H,27,31,32)
InChIKeyNFMVCPVCRWKYRB-UHFFFAOYSA-N
MW461.48 g/mol
LogP0.95
Rot. Bonds6

About N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide

N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide (PubChem CID 138611897) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide
PubChem CID138611897
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC NameN-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide
SMILESO=CNc1ccc(C(=O)N2CC(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C2)cc1
InChIInChI=1S/C24H23N5O5/c30-13-25-15-6-4-14(5-7-15)23(33)28-10-16(11-28)26-19-3-1-2-17-18(19)12-29(24(17)34)20-8-9-21(31)27-22(20)32/h1-7,13,16,20,26H,8-12H2,(H,25,30)(H,27,31,32)
InChIKeyNFMVCPVCRWKYRB-UHFFFAOYSA-N
XLogP0.95
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide
CID 138611916
[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid
CID 174190318
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]formamide;pent-1-yne
CID 156793826
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-11-oxoundecanamide
CID 126719053
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
3-[3-oxo-7-(1-sulfanylethylamino)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138627200
tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]-N-methylcarbamate
CID 175995361
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide?
The IUPAC name of N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide (CID 138611897) is N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide.
What is the SMILES notation for N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide?
The canonical SMILES for N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide is O=CNc1ccc(C(=O)N2CC(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)C2)cc1.
What is the InChIKey of N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide?
The InChIKey is NFMVCPVCRWKYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c30-13-25-15-6-4-14(5-7-15)23(33)28-10-16(11-28)26-19-3-1-2-17-18(19)12-29(24(17)34)20-8-9-21(31)27-22(20)32/h1-7,13,16,20,26H,8-12H2,(H,25,30)(H,27,31,32).
What are the key properties of N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide?
N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide has a molecular weight of 461.48 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide is sourced from PubChem (CID 138611897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).