N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide

C23H24N4O3 — CID 110562490

IUPACN-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-16(28)25-19-7-5-18(6-8-19)20-21(26-13-3-2-4-14-26)23(30)27(22(20)29)15-17-9-11-24-12-10-17/h5-12H,2-4,13-15H2,1H3,(H,25,28)
InChIKeyYEDKWJFBBINRSX-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.81
Rot. Bonds5

About N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide

N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide (PubChem CID 110562490) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
PubChem CID110562490
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-16(28)25-19-7-5-18(6-8-19)20-21(26-13-3-2-4-14-26)23(30)27(22(20)29)15-17-9-11-24-12-10-17/h5-12H,2-4,13-15H2,1H3,(H,25,28)
InChIKeyYEDKWJFBBINRSX-UHFFFAOYSA-N
XLogP2.81
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.81
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-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110562964
N-[4-[4-(4-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596341
N-[4-[4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562357
N-[4-[4-[4-(dimethylamino)anilino]-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596332
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110569459
N-[4-[1-ethyl-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562647
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
3-phenyl-4-(4-phenylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110559226
N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562507
3-phenyl-1-(pyridin-4-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110559229
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
N-[4-[1-(3,5-dimethylphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110563209

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide (CID 110562490) is N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
The InChIKey is YEDKWJFBBINRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16(28)25-19-7-5-18(6-8-19)20-21(26-13-3-2-4-14-26)23(30)27(22(20)29)15-17-9-11-24-12-10-17/h5-12H,2-4,13-15H2,1H3,(H,25,28).
What are the key properties of N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide?
N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).