1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione

C12H15N3O2 — CID 79507140

IUPAC1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(Cc2ccnc(N)c2)C(=O)C1
InChIInChI=1S/C12H15N3O2/c1-8-4-11(16)15(12(17)5-8)7-9-2-3-14-10(13)6-9/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14)
InChIKeyBFOWNWCCBJISIG-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.95
Rot. Bonds2

About 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione

1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione (PubChem CID 79507140) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione
PubChem CID79507140
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(Cc2ccnc(N)c2)C(=O)C1
InChIInChI=1S/C12H15N3O2/c1-8-4-11(16)15(12(17)5-8)7-9-2-3-14-10(13)6-9/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14)
InChIKeyBFOWNWCCBJISIG-UHFFFAOYSA-N
XLogP0.95
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.95
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-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione (CID 79507140) is 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(Cc2ccnc(N)c2)C(=O)C1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is BFOWNWCCBJISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-4-11(16)15(12(17)5-8)7-9-2-3-14-10(13)6-9/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione?
1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79507140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).