3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H20N4O2 — CID 146373701

IUPAC3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESNc1ccc(CC2NC(=O)C3(CCCCC3)NC2=O)nc1
InChIInChI=1S/C15H20N4O2/c16-10-4-5-11(17-9-10)8-12-13(20)19-15(14(21)18-12)6-2-1-3-7-15/h4-5,9,12H,1-3,6-8,16H2,(H,18,21)(H,19,20)
InChIKeyMMSTXWMWVQZUAS-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.52
Rot. Bonds2

About 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 146373701) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID146373701
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESNc1ccc(CC2NC(=O)C3(CCCCC3)NC2=O)nc1
InChIInChI=1S/C15H20N4O2/c16-10-4-5-11(17-9-10)8-12-13(20)19-15(14(21)18-12)6-2-1-3-7-15/h4-5,9,12H,1-3,6-8,16H2,(H,18,21)(H,19,20)
InChIKeyMMSTXWMWVQZUAS-UHFFFAOYSA-N
XLogP0.52
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 146373701) is 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is Nc1ccc(CC2NC(=O)C3(CCCCC3)NC2=O)nc1.
What is the InChIKey of 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is MMSTXWMWVQZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-10-4-5-11(17-9-10)8-12-13(20)19-15(14(21)18-12)6-2-1-3-7-15/h4-5,9,12H,1-3,6-8,16H2,(H,18,21)(H,19,20).
What are the key properties of 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 146373701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).