4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide

C16H22N4O2 — CID 172569732

IUPAC4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(N2CC3(CNC3)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-17-15(22)5-3-13(7-21)12-2-4-14(19-6-12)20-10-16(11-20)8-18-9-16/h2,4,6-7,13,18H,3,5,8-11H2,1H3,(H,17,22)
InChIKeyUUZDUHKESABTFB-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.30
Rot. Bonds6

About 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide

4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide (PubChem CID 172569732) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
PubChem CID172569732
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(N2CC3(CNC3)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-17-15(22)5-3-13(7-21)12-2-4-14(19-6-12)20-10-16(11-20)8-18-9-16/h2,4,6-7,13,18H,3,5,8-11H2,1H3,(H,17,22)
InChIKeyUUZDUHKESABTFB-UHFFFAOYSA-N
XLogP0.30
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide 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-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide (CID 172569732) is 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)c1ccc(N2CC3(CNC3)C2)nc1.
What is the InChIKey of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
The InChIKey is UUZDUHKESABTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-15(22)5-3-13(7-21)12-2-4-14(19-6-12)20-10-16(11-20)8-18-9-16/h2,4,6-7,13,18H,3,5,8-11H2,1H3,(H,17,22).
What are the key properties of 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide?
4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide has a molecular weight of 302.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 172569732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).