N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

C26H28N4O4 — CID 167230253

IUPACN-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)N[C@@H](c4ccccn4)C4CCCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N4O4/c31-22-12-11-21(25(33)28-22)30-15-18-14-17(9-10-19(18)26(30)34)24(32)29-23(16-6-2-1-3-7-16)20-8-4-5-13-27-20/h4-5,8-10,13-14,16,21,23H,1-3,6-7,11-12,15H2,(H,29,32)(H,28,31,33)/t21?,23-/m1/s1
InChIKeyYOTDNVOLTMTGBK-JFGZAKSSSA-N
MW460.53 g/mol
LogP2.89
Rot. Bonds5

About N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 167230253) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
PubChem CID167230253
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)N[C@@H](c4ccccn4)C4CCCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N4O4/c31-22-12-11-21(25(33)28-22)30-15-18-14-17(9-10-19(18)26(30)34)24(32)29-23(16-6-2-1-3-7-16)20-8-4-5-13-27-20/h4-5,8-10,13-14,16,21,23H,1-3,6-7,11-12,15H2,(H,29,32)(H,28,31,33)/t21?,23-/m1/s1
InChIKeyYOTDNVOLTMTGBK-JFGZAKSSSA-N
XLogP2.89
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-cyclopentyl(phenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231155
N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 167230602
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-3H-isoindole-5-carboxamide
CID 155338677
(2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 166425969
2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 167230778
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(E)-4,4,4-trifluoro-1-phenylbut-2-enyl]-3H-isoindole-5-carboxamide
CID 155732541
N-[1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338810
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339091
2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338947
propan-2-yl 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]piperidine-1-carboxylate
CID 166409636

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (CID 167230253) is N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)N[C@@H](c4ccccn4)C4CCCCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is YOTDNVOLTMTGBK-JFGZAKSSSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-22-12-11-21(25(33)28-22)30-15-18-14-17(9-10-19(18)26(30)34)24(32)29-23(16-6-2-1-3-7-16)20-8-4-5-13-27-20/h4-5,8-10,13-14,16,21,23H,1-3,6-7,11-12,15H2,(H,29,32)(H,28,31,33)/t21?,23-/m1/s1.
What are the key properties of N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 167230253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).