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

C15H19N3O2 — CID 114513953

IUPAC2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(Cc3ccnc(N)c3)C(=O)C2C1
InChIInChI=1S/C15H19N3O2/c1-2-9-5-11-12(6-9)15(20)18(14(11)19)8-10-3-4-17-13(16)7-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H2,16,17)
InChIKeyRBEVUBNCASFHDS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds3

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

2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513953) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513953
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCC1CC2C(=O)N(Cc3ccnc(N)c3)C(=O)C2C1
InChIInChI=1S/C15H19N3O2/c1-2-9-5-11-12(6-9)15(20)18(14(11)19)8-10-3-4-17-13(16)7-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H2,16,17)
InChIKeyRBEVUBNCASFHDS-UHFFFAOYSA-N
XLogP1.59
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
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 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513953) is 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCC1CC2C(=O)N(Cc3ccnc(N)c3)C(=O)C2C1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is RBEVUBNCASFHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-9-5-11-12(6-9)15(20)18(14(11)19)8-10-3-4-17-13(16)7-10/h3-4,7,9,11-12H,2,5-6,8H2,1H3,(H2,16,17).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 273.34 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 2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).