N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

C28H26N4O3 — CID 171075331

IUPACN-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(-c3cn(C)c(-c4ccc5ccccc5c4)n3)ccc2C1=O
InChIInChI=1S/C28H26N4O3/c1-29-27(34)25(8-5-13-33)32-16-22-15-20(11-12-23(22)28(32)35)24-17-31(2)26(30-24)21-10-9-18-6-3-4-7-19(18)14-21/h3-4,6-7,9-15,17,25H,5,8,16H2,1-2H3,(H,29,34)
InChIKeyDOGMPLVIVFJEKV-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.96
Rot. Bonds7

About N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 171075331) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID171075331
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(-c3cn(C)c(-c4ccc5ccccc5c4)n3)ccc2C1=O
InChIInChI=1S/C28H26N4O3/c1-29-27(34)25(8-5-13-33)32-16-22-15-20(11-12-23(22)28(32)35)24-17-31(2)26(30-24)21-10-9-18-6-3-4-7-19(18)14-21/h3-4,6-7,9-15,17,25H,5,8,16H2,1-2H3,(H,29,34)
InChIKeyDOGMPLVIVFJEKV-UHFFFAOYSA-N
XLogP3.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
N-methyl-5-oxo-2-[3-oxo-6-[3-(propan-2-ylamino)-7-(pyrrolidin-1-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-1H-isoindol-2-yl]pentanamide
CID 170273217
2-[6-[[(2-chloroacetyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 167232625
ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 169161654
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170731571
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033
2-[6-[6-[[2-(2,6-difluorophenyl)ethylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170272797
N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170098970
N-methyl-2-[6-[(2E)-2-[[6-(oxan-4-yl)-2-pyridinyl]imino]ethanehydrazonoyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 176972107
2-[6-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-(oxetan-3-yl)pyrrolo[2,3-b]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170273168
2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
CID 144752994

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 171075331) is N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2cc(-c3cn(C)c(-c4ccc5ccccc5c4)n3)ccc2C1=O.
What is the InChIKey of N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The InChIKey is DOGMPLVIVFJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-29-27(34)25(8-5-13-33)32-16-22-15-20(11-12-23(22)28(32)35)24-17-31(2)26(30-24)21-10-9-18-6-3-4-7-19(18)14-21/h3-4,6-7,9-15,17,25H,5,8,16H2,1-2H3,(H,29,34).
What are the key properties of N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide has a molecular weight of 466.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 171075331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).