1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

C16H15N3O2 — CID 2877164

IUPAC1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2
InChIKeyVLEUTQWKOOZXOW-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.50
Rot. Bonds4

About 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 2877164) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID2877164
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2
InChIKeyVLEUTQWKOOZXOW-UHFFFAOYSA-N
XLogP1.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)pyridine-3-carbohydrazide
CID 5144092
N-{2-methyl-1-[(pyridin-4-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3240382
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-4-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895788
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
N'-(2-Phenylethyl)-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]ethanediamide
CID 16017378
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
N'-(4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 3117747
1-(4-fluorophenyl)-5-oxo-N-(pyridin-3-yl)pyrrolidine-3-carboxamide
CID 6460126
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 9439521
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 18079771
4-Methyl-1-(m-tolylcarbamoyl-methyl)-pyridinium
CID 24747032

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 2877164) is 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is VLEUTQWKOOZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2.
What are the key properties of 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 281.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).