6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C14H17N3O2 — CID 64880504

IUPAC6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CNC(=O)C2(CCCC2)N1Cc1ccccn1
InChIInChI=1S/C14H17N3O2/c18-12-9-16-13(19)14(6-2-3-7-14)17(12)10-11-5-1-4-8-15-11/h1,4-5,8H,2-3,6-7,9-10H2,(H,16,19)
InChIKeyWZQIGZLHCWRCBF-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.85
Rot. Bonds2

About 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64880504) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64880504
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CNC(=O)C2(CCCC2)N1Cc1ccccn1
InChIInChI=1S/C14H17N3O2/c18-12-9-16-13(19)14(6-2-3-7-14)17(12)10-11-5-1-4-8-15-11/h1,4-5,8H,2-3,6-7,9-10H2,(H,16,19)
InChIKeyWZQIGZLHCWRCBF-UHFFFAOYSA-N
XLogP0.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64880504) is 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CNC(=O)C2(CCCC2)N1Cc1ccccn1.
What is the InChIKey of 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is WZQIGZLHCWRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-12-9-16-13(19)14(6-2-3-7-14)17(12)10-11-5-1-4-8-15-11/h1,4-5,8H,2-3,6-7,9-10H2,(H,16,19).
What are the key properties of 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 259.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64880504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).