N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide

C30H17N5O7 — CID 159184184

IUPACN-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide
SMILESO=C(CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1
InChIInChI=1S/C30H17N5O7/c36-24(16-5-9-31-10-6-16)15-34-27(39)20-3-1-18(13-22(20)28(34)40)25(37)19-2-4-21-23(14-19)30(42)35(29(21)41)33-26(38)17-7-11-32-12-8-17/h1-14H,15H2,(H,33,38)
InChIKeyICXLXYCFRCIDDR-UHFFFAOYSA-N
MW559.49 g/mol
LogP2.13
Rot. Bonds7

About N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide

N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide (PubChem CID 159184184) has the molecular formula C30H17N5O7 and a molecular weight of 559.49 g/mol. Its IUPAC name is N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide
PubChem CID159184184
Molecular FormulaC30H17N5O7
Molecular Weight559.49 g/mol
Exact Mass559.11
IUPAC NameN-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide
SMILESO=C(CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1
InChIInChI=1S/C30H17N5O7/c36-24(16-5-9-31-10-6-16)15-34-27(39)20-3-1-18(13-22(20)28(34)40)25(37)19-2-4-21-23(14-19)30(42)35(29(21)41)33-26(38)17-7-11-32-12-8-17/h1-14H,15H2,(H,33,38)
InChIKeyICXLXYCFRCIDDR-UHFFFAOYSA-N
XLogP2.13
TPSA163.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-nitrophenoxy)-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide
CID 5196047
N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide
CID 4548391
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281
N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 554603
N-(4-methylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2664713
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59475379
2-[2-(4-iodophenyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 27999930
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione;dihydrochloride
CID 120656615
N-(2-ethylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 8839304

Frequently Asked Questions

What is the IUPAC name of N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide (CID 159184184) is N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide is O=C(CN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1.
What is the InChIKey of N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide?
The InChIKey is ICXLXYCFRCIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N5O7/c36-24(16-5-9-31-10-6-16)15-34-27(39)20-3-1-18(13-22(20)28(34)40)25(37)19-2-4-21-23(14-19)30(42)35(29(21)41)33-26(38)17-7-11-32-12-8-17/h1-14H,15H2,(H,33,38).
What are the key properties of N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide?
N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide has a molecular weight of 559.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1,3-dioxo-2-(2-oxo-2-pyridin-4-ylethyl)isoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 159184184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).