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

C24H26N4O4 — CID 108556866

IUPACN-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C1=O
InChIInChI=1S/C24H26N4O4/c1-15(2)14-28-23(31)19-4-3-17(13-20(19)24(28)32)22(30)27-11-7-18(8-12-27)26-21(29)16-5-9-25-10-6-16/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,26,29)
InChIKeySLOMBKQDKGACGE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.37
Rot. Bonds5

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

N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 108556866) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
PubChem CID108556866
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C1=O
InChIInChI=1S/C24H26N4O4/c1-15(2)14-28-23(31)19-4-3-17(13-20(19)24(28)32)22(30)27-11-7-18(8-12-27)26-21(29)16-5-9-25-10-6-16/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,26,29)
InChIKeySLOMBKQDKGACGE-UHFFFAOYSA-N
XLogP2.37
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
CID 108557655
2-(2-methylpropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545802
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108555243
prop-2-enyl N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]carbamate
CID 108564492
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 55848097
2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 108551795
5-(4-acetylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoindole-1,3-dione
CID 39349762
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
2-(2-methylpropyl)-1,3-dioxo-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]isoindole-5-carboxamide
CID 108924611
2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
5-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108534951

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide (CID 108556866) is N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4ccncc4)CC3)cc2C1=O.
What is the InChIKey of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is SLOMBKQDKGACGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15(2)14-28-23(31)19-4-3-17(13-20(19)24(28)32)22(30)27-11-7-18(8-12-27)26-21(29)16-5-9-25-10-6-16/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide?
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 108556866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).