1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione

C16H15N3O2 — CID 62354535

IUPAC1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione
SMILESNCc1ccc(N2C(=O)CC(c3ccccc3)C2=O)nc1
InChIInChI=1S/C16H15N3O2/c17-9-11-6-7-14(18-10-11)19-15(20)8-13(16(19)21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,17H2
InChIKeyUEGIOYCDGFSLKA-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.59
Rot. Bonds3

About 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione

1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 62354535) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID62354535
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione
SMILESNCc1ccc(N2C(=O)CC(c3ccccc3)C2=O)nc1
InChIInChI=1S/C16H15N3O2/c17-9-11-6-7-14(18-10-11)19-15(20)8-13(16(19)21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,17H2
InChIKeyUEGIOYCDGFSLKA-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione (CID 62354535) is 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione is NCc1ccc(N2C(=O)CC(c3ccccc3)C2=O)nc1.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is UEGIOYCDGFSLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-9-11-6-7-14(18-10-11)19-15(20)8-13(16(19)21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,17H2.
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione?
1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 281.32 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 62354535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).