1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide

C25H22N4O4 — CID 108925509

IUPAC1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)c4cccnc4)cc3)cc2C1=O
InChIInChI=1S/C25H22N4O4/c1-15(2)29-24(32)20-10-7-17(12-21(20)25(29)33)23(31)28-19-8-5-16(6-9-19)13-27-22(30)18-4-3-11-26-14-18/h3-12,14-15H,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyAOMVGFTYNRNGBI-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.27
Rot. Bonds6

About 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide

1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide (PubChem CID 108925509) 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-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
PubChem CID108925509
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)c4cccnc4)cc3)cc2C1=O
InChIInChI=1S/C25H22N4O4/c1-15(2)29-24(32)20-10-7-17(12-21(20)25(29)33)23(31)28-19-8-5-16(6-9-19)13-27-22(30)18-4-3-11-26-14-18/h3-12,14-15H,13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyAOMVGFTYNRNGBI-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-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281
N-[[4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925513
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
tert-butyl N-[2-[[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917559
2-(3-methoxypropyl)-1,3-dioxo-N-[4-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925012
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[[4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925634
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide (CID 108925509) is 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide is CC(C)N1C(=O)c2ccc(C(=O)Nc3ccc(CNC(=O)c4cccnc4)cc3)cc2C1=O.
What is the InChIKey of 1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide?
The InChIKey is AOMVGFTYNRNGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15(2)29-24(32)20-10-7-17(12-21(20)25(29)33)23(31)28-19-8-5-16(6-9-19)13-27-22(30)18-4-3-11-26-14-18/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-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide?
1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]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-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide is sourced from PubChem (CID 108925509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).