2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H19N3O3 — CID 114512427

IUPAC2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNc1ccc(=O)n(CCCN2C(=O)C3CCCC3C2=O)c1
InChIInChI=1S/C15H19N3O3/c16-10-5-6-13(19)17(9-10)7-2-8-18-14(20)11-3-1-4-12(11)15(18)21/h5-6,9,11-12H,1-4,7-8,16H2
InChIKeyZEWISYKDVHKTRN-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.61
Rot. Bonds4

About 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114512427) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114512427
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNc1ccc(=O)n(CCCN2C(=O)C3CCCC3C2=O)c1
InChIInChI=1S/C15H19N3O3/c16-10-5-6-13(19)17(9-10)7-2-8-18-14(20)11-3-1-4-12(11)15(18)21/h5-6,9,11-12H,1-4,7-8,16H2
InChIKeyZEWISYKDVHKTRN-UHFFFAOYSA-N
XLogP0.61
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

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Related Compounds

5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
CID 113335564
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
5-amino-1-(cyclobutylmethyl)pyridin-2-one
CID 65457574
5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
CID 63604666
5-amino-1-[2-(2,3-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62125307
5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
5-amino-1-[3-(2-cyclopropylethoxy)propyl]pyridin-2-one
CID 106199955
5-amino-1-[3-(3-methylcyclohexyl)sulfonylpropyl]pyridin-2-one
CID 62720640
5-amino-1-[3-(3-methylcyclohexyl)sulfinylpropyl]pyridin-2-one
CID 62721366
5-amino-1-(5-hydroxypentyl)pyridin-2-one
CID 62228479
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
CID 165482076

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114512427) is 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is Nc1ccc(=O)n(CCCN2C(=O)C3CCCC3C2=O)c1.
What is the InChIKey of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is ZEWISYKDVHKTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-10-5-6-13(19)17(9-10)7-2-8-18-14(20)11-3-1-4-12(11)15(18)21/h5-6,9,11-12H,1-4,7-8,16H2.
What are the key properties of 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 289.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114512427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).