2-(10-pyridin-3-yldecyl)isoindole-1,3-dione

C23H28N2O2 — CID 11394426

IUPAC2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCc1cccnc1
InChIInChI=1S/C23H28N2O2/c26-22-20-14-8-9-15-21(20)23(27)25(22)17-10-6-4-2-1-3-5-7-12-19-13-11-16-24-18-19/h8-9,11,13-16,18H,1-7,10,12,17H2
InChIKeySSHCBRGICZCULL-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.04
Rot. Bonds11

About 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione

2-(10-pyridin-3-yldecyl)isoindole-1,3-dione (PubChem CID 11394426) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
PubChem CID11394426
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCc1cccnc1
InChIInChI=1S/C23H28N2O2/c26-22-20-14-8-9-15-21(20)23(27)25(22)17-10-6-4-2-1-3-5-7-12-19-13-11-16-24-18-19/h8-9,11,13-16,18H,1-7,10,12,17H2
InChIKeySSHCBRGICZCULL-UHFFFAOYSA-N
XLogP5.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-3-ylpropyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 78772685
3-pyridin-3-ylpropyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 78772613
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192
2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione
CID 122510336
2-[(pyridin-3-ylmethylamino)methyl]isoindole-1,3-dione
CID 134117824
2-[6-(2H-triazol-4-yl)hexyl]isoindole-1,3-dione
CID 162717385
5-pyridin-3-yl-1-(3-pyridin-3-ylpropyl)indole-2,3-dione
CID 71721859
CID 171374663
CID 171374663
2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
CID 14662149
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430

Frequently Asked Questions

What is the IUPAC name of 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione?
The IUPAC name of 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione (CID 11394426) is 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione?
The canonical SMILES for 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCCCc1cccnc1.
What is the InChIKey of 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione?
The InChIKey is SSHCBRGICZCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22-20-14-8-9-15-21(20)23(27)25(22)17-10-6-4-2-1-3-5-7-12-19-13-11-16-24-18-19/h8-9,11,13-16,18H,1-7,10,12,17H2.
What are the key properties of 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione?
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione has a molecular weight of 364.49 g/mol, XLogP of 5.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-pyridin-3-yldecyl)isoindole-1,3-dione is sourced from PubChem (CID 11394426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).