1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide

C24H23N7O4 — CID 167871865

IUPAC1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)n1
InChIInChI=1S/C24H23N7O4/c1-14-4-3-5-16(25-14)12-29(2)24(35)19-13-31(28-27-19)17-7-6-15-11-30(23(34)18(15)10-17)20-8-9-21(32)26-22(20)33/h3-7,10,13,20H,8-9,11-12H2,1-2H3,(H,26,32,33)
InChIKeyDQLMCPKPIPNOQF-UHFFFAOYSA-N
MW473.49 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide

1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 167871865) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID167871865
Molecular FormulaC24H23N7O4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC Name1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)n1
InChIInChI=1S/C24H23N7O4/c1-14-4-3-5-16(25-14)12-29(2)24(35)19-13-31(28-27-19)17-7-6-15-11-30(23(34)18(15)10-17)20-8-9-21(32)26-22(20)33/h3-7,10,13,20H,8-9,11-12H2,1-2H3,(H,26,32,33)
InChIKeyDQLMCPKPIPNOQF-UHFFFAOYSA-N
XLogP1.00
TPSA130.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-pent-4-yn-2-yltriazole-4-carboxamide
CID 167951899
N-(2,2-dimethyloxan-4-yl)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyltriazole-4-carboxamide
CID 167781074
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 166428172
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(4-methyl-1H-benzimidazol-2-yl)triazole-4-carboxamide
CID 167895980
3-[5-[4-(2,2-dimethylpropyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166418587
3-[5-[4-[4-(hydroxymethyl)-2,2,4-trimethylpyrrolidine-1-carbonyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167918996
3-[5-[4-(2-benzylazetidine-1-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167819524
3-[5-[4-[4-(dipropylamino)phenyl]triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166422935
3-[5-[4-(2-cyclopropyl-2-hydroxyethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167878992
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[(1-hydroxy-3-methylcyclohexyl)methyl]triazole-4-carboxamide
CID 167908649
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-(3-ethyl-5-fluoro-2-methylphenyl)triazole-4-carboxamide
CID 167796084
3-[5-[4-(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167783310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide (CID 167871865) is 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide is Cc1cccc(CN(C)C(=O)c2cn(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nn2)n1.
What is the InChIKey of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is DQLMCPKPIPNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-14-4-3-5-16(25-14)12-29(2)24(35)19-13-31(28-27-19)17-7-6-15-11-30(23(34)18(15)10-17)20-8-9-21(32)26-22(20)33/h3-7,10,13,20H,8-9,11-12H2,1-2H3,(H,26,32,33).
What are the key properties of 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide?
1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 167871865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).