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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Related Compounds

[4-[[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930967
2-cyclohexyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 1369561
N-(5-bromo-2-pyridinyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 29260312
2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29133038
2-[3-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-hydroxyphenyl]acetic acid
CID 108764239
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360
2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 71936857
2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
CID 26911738
N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 26289841
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]isoindole-5-carboxamide
CID 108933259
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454

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).