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

C25H22N4O4 — CID 108926281

IUPAC1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2C1=O
InChIInChI=1S/C25H22N4O4/c1-15(2)29-24(32)20-9-8-17(12-21(20)25(29)33)22(30)27-13-16-5-3-7-19(11-16)28-23(31)18-6-4-10-26-14-18/h3-12,14-15H,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIUTKDVHAHBXERR-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.27
Rot. Bonds6

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

1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide (PubChem CID 108926281) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
PubChem CID108926281
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2C1=O
InChIInChI=1S/C25H22N4O4/c1-15(2)29-24(32)20-9-8-17(12-21(20)25(29)33)22(30)27-13-16-5-3-7-19(11-16)28-23(31)18-6-4-10-26-14-18/h3-12,14-15H,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIUTKDVHAHBXERR-UHFFFAOYSA-N
XLogP3.27
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.27
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

1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
CID 108925509
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
CID 50914021
N-[[3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926388
N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925513
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide (CID 108926281) is 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide is CC(C)N1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)c4cccnc4)c3)cc2C1=O.
What is the InChIKey of 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide?
The InChIKey is IUTKDVHAHBXERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15(2)29-24(32)20-9-8-17(12-21(20)25(29)33)22(30)27-13-16-5-3-7-19(11-16)28-23(31)18-6-4-10-26-14-18/h3-12,14-15H,13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide?
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide is sourced from PubChem (CID 108926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).