5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C23H28N4O3 — CID 67227597

IUPAC5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCc1cc(NC(=O)C2CC3(CN2)C(=O)Nc2ccc(CC(C)(C)C)cc23)cc(=O)[nH]1
InChIInChI=1S/C23H28N4O3/c1-13-7-15(9-19(28)25-13)26-20(29)18-11-23(12-24-18)16-8-14(10-22(2,3)4)5-6-17(16)27-21(23)30/h5-9,18,24H,10-12H2,1-4H3,(H,27,30)(H2,25,26,28,29)
InChIKeyDRBZXYKNYHVLPA-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.46
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 67227597) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID67227597
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCc1cc(NC(=O)C2CC3(CN2)C(=O)Nc2ccc(CC(C)(C)C)cc23)cc(=O)[nH]1
InChIInChI=1S/C23H28N4O3/c1-13-7-15(9-19(28)25-13)26-20(29)18-11-23(12-24-18)16-8-14(10-22(2,3)4)5-6-17(16)27-21(23)30/h5-9,18,24H,10-12H2,1-4H3,(H,27,30)(H2,25,26,28,29)
InChIKeyDRBZXYKNYHVLPA-UHFFFAOYSA-N
XLogP2.46
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 67227597) is 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is Cc1cc(NC(=O)C2CC3(CN2)C(=O)Nc2ccc(CC(C)(C)C)cc23)cc(=O)[nH]1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is DRBZXYKNYHVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-13-7-15(9-19(28)25-13)26-20(29)18-11-23(12-24-18)16-8-14(10-22(2,3)4)5-6-17(16)27-21(23)30/h5-9,18,24H,10-12H2,1-4H3,(H,27,30)(H2,25,26,28,29).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 67227597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).