2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide

C24H21N3O3 — CID 78859866

IUPAC2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(C)n1
InChIInChI=1S/C24H21N3O3/c1-14-11-15(2)25-16(3)21(14)26-22(28)18-9-10-19-20(12-18)24(30)27(23(19)29)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeySWRBBIPIDVTCGA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.06
Rot. Bonds4

About 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide

2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide (PubChem CID 78859866) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide
PubChem CID78859866
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(C)n1
InChIInChI=1S/C24H21N3O3/c1-14-11-15(2)25-16(3)21(14)26-22(28)18-9-10-19-20(12-18)24(30)27(23(19)29)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,26,28)
InChIKeySWRBBIPIDVTCGA-UHFFFAOYSA-N
XLogP4.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 36780097
2-benzyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 35031539
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543
2-benzyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9403087
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
CID 9271763
1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2993985
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
2-benzyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108751967

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide?
The IUPAC name of 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide (CID 78859866) is 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide is Cc1cc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c(C)n1.
What is the InChIKey of 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide?
The InChIKey is SWRBBIPIDVTCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-14-11-15(2)25-16(3)21(14)26-22(28)18-9-10-19-20(12-18)24(30)27(23(19)29)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,26,28).
What are the key properties of 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide?
2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dioxo-N-(2,4,6-trimethyl-3-pyridinyl)isoindole-5-carboxamide is sourced from PubChem (CID 78859866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).