4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one

C13H17N3O — CID 177235634

IUPAC4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one
SMILESCc1ccc(N2CCN(C)C3(CC3)C2=O)nc1
InChIInChI=1S/C13H17N3O/c1-10-3-4-11(14-9-10)16-8-7-15(2)13(5-6-13)12(16)17/h3-4,9H,5-8H2,1-2H3
InChIKeyHQUDQEVDXHVDMT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.20
Rot. Bonds1

About 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one

4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one (PubChem CID 177235634) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one
PubChem CID177235634
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one
SMILESCc1ccc(N2CCN(C)C3(CC3)C2=O)nc1
InChIInChI=1S/C13H17N3O/c1-10-3-4-11(14-9-10)16-8-7-15(2)13(5-6-13)12(16)17/h3-4,9H,5-8H2,1-2H3
InChIKeyHQUDQEVDXHVDMT-UHFFFAOYSA-N
XLogP1.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one?
The IUPAC name of 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one (CID 177235634) is 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one.
What is the SMILES notation for 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one?
The canonical SMILES for 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one is Cc1ccc(N2CCN(C)C3(CC3)C2=O)nc1.
What is the InChIKey of 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one?
The InChIKey is HQUDQEVDXHVDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-3-4-11(14-9-10)16-8-7-15(2)13(5-6-13)12(16)17/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one?
4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one has a molecular weight of 231.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octan-8-one is sourced from PubChem (CID 177235634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).