6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C15H20N4O2 — CID 80549237

IUPAC6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNCC1CCCCC12NC(=O)N(Cc1ccncc1)C2=O
InChIInChI=1S/C15H20N4O2/c16-9-12-3-1-2-6-15(12)13(20)19(14(21)18-15)10-11-4-7-17-8-5-11/h4-5,7-8,12H,1-3,6,9-10,16H2,(H,18,21)
InChIKeySGQYJTPMNPJLEZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.02
Rot. Bonds3

About 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 80549237) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID80549237
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNCC1CCCCC12NC(=O)N(Cc1ccncc1)C2=O
InChIInChI=1S/C15H20N4O2/c16-9-12-3-1-2-6-15(12)13(20)19(14(21)18-15)10-11-4-7-17-8-5-11/h4-5,7-8,12H,1-3,6,9-10,16H2,(H,18,21)
InChIKeySGQYJTPMNPJLEZ-UHFFFAOYSA-N
XLogP1.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 80549237) is 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is NCC1CCCCC12NC(=O)N(Cc1ccncc1)C2=O.
What is the InChIKey of 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SGQYJTPMNPJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-9-12-3-1-2-6-15(12)13(20)19(14(21)18-15)10-11-4-7-17-8-5-11/h4-5,7-8,12H,1-3,6,9-10,16H2,(H,18,21).
What are the key properties of 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 80549237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).