4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide

C25H24N4O3 — CID 78803544

IUPAC4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1ccncc1)Cc1cccnc1)C2=O
InChIInChI=1S/C25H24N4O3/c1-18-6-7-21-22(14-18)25(32)29(24(21)31)13-3-5-23(30)28(16-19-8-11-26-12-9-19)17-20-4-2-10-27-15-20/h2,4,6-12,14-15H,3,5,13,16-17H2,1H3
InChIKeyKOBPOVNDDKXUPH-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.39
Rot. Bonds8

About 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide

4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 78803544) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
PubChem CID78803544
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1ccncc1)Cc1cccnc1)C2=O
InChIInChI=1S/C25H24N4O3/c1-18-6-7-21-22(14-18)25(32)29(24(21)31)13-3-5-23(30)28(16-19-8-11-26-12-9-19)17-20-4-2-10-27-15-20/h2,4,6-12,14-15H,3,5,13,16-17H2,1H3
InChIKeyKOBPOVNDDKXUPH-UHFFFAOYSA-N
XLogP3.39
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86978707
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982842
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 55900147
N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
CID 26722353
N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 91963142
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 55900021
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56789486
N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55917587
3-pyridin-3-ylpropyl 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 78772685

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide (CID 78803544) is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(Cc1ccncc1)Cc1cccnc1)C2=O.
What is the InChIKey of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is KOBPOVNDDKXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-18-6-7-21-22(14-18)25(32)29(24(21)31)13-3-5-23(30)28(16-19-8-11-26-12-9-19)17-20-4-2-10-27-15-20/h2,4,6-12,14-15H,3,5,13,16-17H2,1H3.
What are the key properties of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide?
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 428.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 78803544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).