(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium

C16H16N3O2+ — CID 3302744

IUPAC(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
SMILESO=C1CC([NH2+]Cc2ccncc2)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/p+1
InChIKeyVLEUTQWKOOZXOW-UHFFFAOYSA-O
MW282.32 g/mol
LogP0.48
Rot. Bonds4

About (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium

(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium (PubChem CID 3302744) has the molecular formula C16H16N3O2+ and a molecular weight of 282.32 g/mol. Its IUPAC name is (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium.

Molecular Properties

Compound Name(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
PubChem CID3302744
Molecular FormulaC16H16N3O2+
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium
SMILESO=C1CC([NH2+]Cc2ccncc2)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/p+1
InChIKeyVLEUTQWKOOZXOW-UHFFFAOYSA-O
XLogP0.48
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 7308135
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4187193
benzyl-[(3S)-1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 6925114
benzyl-[1-(4-methoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4078174
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4168854
2-(4-chlorophenyl)ethyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4993829
[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 4187294
[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968725
[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6960635
2-(3,4-dimethoxyphenyl)ethyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7029981
(3-chlorophenyl)methyl-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4746469

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium?
The IUPAC name of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium (CID 3302744) is (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium.
What is the SMILES notation for (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium?
The canonical SMILES for (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium is O=C1CC([NH2+]Cc2ccncc2)C(=O)N1c1ccccc1.
What is the InChIKey of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium?
The InChIKey is VLEUTQWKOOZXOW-UHFFFAOYSA-O. 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/p+1.
What are the key properties of (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium?
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium has a molecular weight of 282.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxo-1-phenylpyrrolidin-3-yl)-(pyridin-4-ylmethyl)azanium is sourced from PubChem (CID 3302744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).