5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one

C11H19N3O — CID 176690727

IUPAC5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one
SMILESCNCCNc1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C11H19N3O/c1-9(2)14-8-10(4-5-11(14)15)13-7-6-12-3/h4-5,8-9,12-13H,6-7H2,1-3H3
InChIKeyPNAJAEYELYJHEC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.06
Rot. Bonds5

About 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one

5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one (PubChem CID 176690727) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one
PubChem CID176690727
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one
SMILESCNCCNc1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C11H19N3O/c1-9(2)14-8-10(4-5-11(14)15)13-7-6-12-3/h4-5,8-9,12-13H,6-7H2,1-3H3
InChIKeyPNAJAEYELYJHEC-UHFFFAOYSA-N
XLogP1.06
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one (CID 176690727) is 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one is CNCCNc1ccc(=O)n(C(C)C)c1.
What is the InChIKey of 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one?
The InChIKey is PNAJAEYELYJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14-8-10(4-5-11(14)15)13-7-6-12-3/h4-5,8-9,12-13H,6-7H2,1-3H3.
What are the key properties of 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one?
5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethylamino]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 176690727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).