2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide

C24H26N4O4 — CID 108551795

IUPAC2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
SMILESCC(C)(C)N1C(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)cc2C1=O
InChIInChI=1S/C24H26N4O4/c1-24(2,3)28-22(31)18-5-4-16(14-19(18)23(28)32)20(29)26-17-8-12-27(13-9-17)21(30)15-6-10-25-11-7-15/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,26,29)
InChIKeyQWWZETPWRCPCHN-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.51
Rot. Bonds3

About 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide

2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide (PubChem CID 108551795) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
PubChem CID108551795
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
SMILESCC(C)(C)N1C(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)cc2C1=O
InChIInChI=1S/C24H26N4O4/c1-24(2,3)28-22(31)18-5-4-16(14-19(18)23(28)32)20(29)26-17-8-12-27(13-9-17)21(30)15-6-10-25-11-7-15/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,26,29)
InChIKeyQWWZETPWRCPCHN-UHFFFAOYSA-N
XLogP2.51
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564583
2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108560333
2-tert-butyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108551790
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 55848097
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
prop-2-enyl N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]carbamate
CID 108564579
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide?
The IUPAC name of 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide (CID 108551795) is 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide is CC(C)(C)N1C(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)cc2C1=O.
What is the InChIKey of 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide?
The InChIKey is QWWZETPWRCPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)28-22(31)18-5-4-16(14-19(18)23(28)32)20(29)26-17-8-12-27(13-9-17)21(30)15-6-10-25-11-7-15/h4-7,10-11,14,17H,8-9,12-13H2,1-3H3,(H,26,29).
What are the key properties of 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide?
2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide is sourced from PubChem (CID 108551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).