10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

C15H18BrN3O2 — CID 104812836

IUPAC10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(Cc2ccc(Br)cn2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C15H18BrN3O2/c16-11-3-4-12(17-9-11)10-19-8-5-13(20)18-15(14(19)21)6-1-2-7-15/h3-4,9H,1-2,5-8,10H2,(H,18,20)
InChIKeyLEGDAVHGELUPHW-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.01
Rot. Bonds2

About 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 104812836) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID104812836
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(Cc2ccc(Br)cn2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C15H18BrN3O2/c16-11-3-4-12(17-9-11)10-19-8-5-13(20)18-15(14(19)21)6-1-2-7-15/h3-4,9H,1-2,5-8,10H2,(H,18,20)
InChIKeyLEGDAVHGELUPHW-UHFFFAOYSA-N
XLogP2.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 104812836) is 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(Cc2ccc(Br)cn2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is LEGDAVHGELUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-11-3-4-12(17-9-11)10-19-8-5-13(20)18-15(14(19)21)6-1-2-7-15/h3-4,9H,1-2,5-8,10H2,(H,18,20).
What are the key properties of 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 352.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 104812836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).