7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione

C13H16N4O2 — CID 146373706

IUPAC7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESNc1ccc(CC2NC(=O)C3(CCC3)NC2=O)nc1
InChIInChI=1S/C13H16N4O2/c14-8-2-3-9(15-7-8)6-10-11(18)17-13(4-1-5-13)12(19)16-10/h2-3,7,10H,1,4-6,14H2,(H,16,19)(H,17,18)
InChIKeyLCLODJTXFAXIPD-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.26
Rot. Bonds2

About 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione

7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione (PubChem CID 146373706) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
PubChem CID146373706
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione
SMILESNc1ccc(CC2NC(=O)C3(CCC3)NC2=O)nc1
InChIInChI=1S/C13H16N4O2/c14-8-2-3-9(15-7-8)6-10-11(18)17-13(4-1-5-13)12(19)16-10/h2-3,7,10H,1,4-6,14H2,(H,16,19)(H,17,18)
InChIKeyLCLODJTXFAXIPD-UHFFFAOYSA-N
XLogP-0.26
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione (CID 146373706) is 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione is Nc1ccc(CC2NC(=O)C3(CCC3)NC2=O)nc1.
What is the InChIKey of 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
The InChIKey is LCLODJTXFAXIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-2-3-9(15-7-8)6-10-11(18)17-13(4-1-5-13)12(19)16-10/h2-3,7,10H,1,4-6,14H2,(H,16,19)(H,17,18).
What are the key properties of 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione?
7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione has a molecular weight of 260.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-amino-2-pyridinyl)methyl]-5,8-diazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146373706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).