[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone

C17H25N3O — CID 3234445

IUPAC[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
SMILESCC(C)CN1CC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C17H25N3O/c1-14(2)11-19-12-17(13-19)5-9-20(10-6-17)16(21)15-3-7-18-8-4-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3
InChIKeyQBPYIPGZFXKHHI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.28
Rot. Bonds3

About [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone

[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone (PubChem CID 3234445) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
PubChem CID3234445
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
SMILESCC(C)CN1CC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C17H25N3O/c1-14(2)11-19-12-17(13-19)5-9-20(10-6-17)16(21)15-3-7-18-8-4-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3
InChIKeyQBPYIPGZFXKHHI-UHFFFAOYSA-N
XLogP2.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone 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 [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone (CID 3234445) is [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone is CC(C)CN1CC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
The InChIKey is QBPYIPGZFXKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(2)11-19-12-17(13-19)5-9-20(10-6-17)16(21)15-3-7-18-8-4-15/h3-4,7-8,14H,5-6,9-13H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone?
[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 3234445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).