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

C25H28N4O4 — CID 108924611

IUPAC2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)c4cccnc4)CC3)cc2C1=O
InChIInChI=1S/C25H28N4O4/c1-16(2)15-29-24(32)20-6-5-18(12-21(20)25(29)33)22(30)27-13-17-7-10-28(11-8-17)23(31)19-4-3-9-26-14-19/h3-6,9,12,14,16-17H,7-8,10-11,13,15H2,1-2H3,(H,27,30)
InChIKeyJIOQJJXEFMOMFW-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.62
Rot. Bonds6

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

2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide (PubChem CID 108924611) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide
PubChem CID108924611
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)c4cccnc4)CC3)cc2C1=O
InChIInChI=1S/C25H28N4O4/c1-16(2)15-29-24(32)20-6-5-18(12-21(20)25(29)33)22(30)27-13-17-7-10-28(11-8-17)23(31)19-4-3-9-26-14-19/h3-6,9,12,14,16-17H,7-8,10-11,13,15H2,1-2H3,(H,27,30)
InChIKeyJIOQJJXEFMOMFW-UHFFFAOYSA-N
XLogP2.62
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
tert-butyl N-[3-[4-[[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919268
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
[3-[[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927073
[3-[4-[[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927074
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
(E)-3,4-dimethyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pent-2-enamide
CID 108924865
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide (CID 108924611) is 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)c4cccnc4)CC3)cc2C1=O.
What is the InChIKey of 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide?
The InChIKey is JIOQJJXEFMOMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16(2)15-29-24(32)20-6-5-18(12-21(20)25(29)33)22(30)27-13-17-7-10-28(11-8-17)23(31)19-4-3-9-26-14-19/h3-6,9,12,14,16-17H,7-8,10-11,13,15H2,1-2H3,(H,27,30).
What are the key properties of 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide?
2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide is sourced from PubChem (CID 108924611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).