3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H30N4O4 — CID 151329402

IUPAC3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCc1cccc(CN[C@H]2CCCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C26H30N4O4/c1-16-5-4-6-18(28-16)14-27-21-7-2-3-8-23(21)34-19-9-10-20-17(13-19)15-30(26(20)33)22-11-12-24(31)29-25(22)32/h4-6,9-10,13,21-23,27H,2-3,7-8,11-12,14-15H2,1H3,(H,29,31,32)/t21-,22?,23+/m0/s1
InChIKeyOIDFDGXYBBPEAG-OCESARCHSA-N
MW462.55 g/mol
LogP2.63
Rot. Bonds6

About 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 151329402) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID151329402
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCc1cccc(CN[C@H]2CCCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C26H30N4O4/c1-16-5-4-6-18(28-16)14-27-21-7-2-3-8-23(21)34-19-9-10-20-17(13-19)15-30(26(20)33)22-11-12-24(31)29-25(22)32/h4-6,9-10,13,21-23,27H,2-3,7-8,11-12,14-15H2,1H3,(H,29,31,32)/t21-,22?,23+/m0/s1
InChIKeyOIDFDGXYBBPEAG-OCESARCHSA-N
XLogP2.63
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[(1S,2S)-2-[[5-[4-[6-(bromomethyl)-2-pyridinyl]butyl]-6-methyl-2-pyridinyl]methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300509
3-[3-oxo-6-[(1S,2S)-2-(pyridin-4-ylmethylamino)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300323
3-[3-oxo-6-[(1R,2S)-2-(pyridin-4-ylmethylamino)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151773448
3-[6-[(1S,2R)-2-(2-methylpropylamino)cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300261
3-[3-oxo-6-[(1S,2S)-2-(pyridin-3-ylmethylamino)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300207
3-[6-[(1S,2S)-2-[(1-ethylpyrazol-4-yl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300145
3-[6-[(1S,2S)-2-[(4-methoxycyclohexyl)methylamino]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300168
3-[6-[(1S,2R)-2-[(3-methyloxetan-3-yl)methylamino]cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300461
3-[6-[(1S,2R)-2-[(3-fluoro-3-methylcyclobutyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160752526
3-[6-[(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300460
3-[6-[(1S,2R)-2-(oxan-4-ylmethylamino)cycloheptyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296771
3-[3-oxo-6-[(1S,2S)-2-[[1-(trifluoromethyl)cyclopropyl]methylamino]cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300305

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 151329402) is 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cccc(CN[C@H]2CCCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)n1.
What is the InChIKey of 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OIDFDGXYBBPEAG-OCESARCHSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-16-5-4-6-18(28-16)14-27-21-7-2-3-8-23(21)34-19-9-10-20-17(13-19)15-30(26(20)33)22-11-12-24(31)29-25(22)32/h4-6,9-10,13,21-23,27H,2-3,7-8,11-12,14-15H2,1H3,(H,29,31,32)/t21-,22?,23+/m0/s1.
What are the key properties of 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 462.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(1R,2S)-2-[(6-methyl-2-pyridinyl)methylamino]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 151329402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).