2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide

C27H24N4O4 — CID 108925288

IUPAC2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccnc1
InChIInChI=1S/C27H24N4O4/c32-24(29-22-10-4-5-11-23(22)30-25(33)18-7-6-14-28-16-18)17-12-13-20-21(15-17)27(35)31(26(20)34)19-8-2-1-3-9-19/h4-7,10-16,19H,1-3,8-9H2,(H,29,32)(H,30,33)
InChIKeyYNZTWGLMIMQXSI-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.51
Rot. Bonds5

About 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide

2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide (PubChem CID 108925288) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
PubChem CID108925288
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccnc1
InChIInChI=1S/C27H24N4O4/c32-24(29-22-10-4-5-11-23(22)30-25(33)18-7-6-14-28-16-18)17-12-13-20-21(15-17)27(35)31(26(20)34)19-8-2-1-3-9-19/h4-7,10-16,19H,1-3,8-9H2,(H,29,32)(H,30,33)
InChIKeyYNZTWGLMIMQXSI-UHFFFAOYSA-N
XLogP4.51
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide (CID 108925288) is 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide is O=C(Nc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccnc1.
What is the InChIKey of 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide?
The InChIKey is YNZTWGLMIMQXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4/c32-24(29-22-10-4-5-11-23(22)30-25(33)18-7-6-14-28-16-18)17-12-13-20-21(15-17)27(35)31(26(20)34)19-8-2-1-3-9-19/h4-7,10-16,19H,1-3,8-9H2,(H,29,32)(H,30,33).
What are the key properties of 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide?
2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 108925288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).