3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C14H18N4O2 — CID 79232630

IUPAC3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cccc(CN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C14H18N4O2/c15-11-6-4-5-10(16-11)9-18-12(19)14(17-13(18)20)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H2,15,16)(H,17,20)
InChIKeyQXYULWYBBQPFLO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds2

About 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 79232630) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID79232630
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cccc(CN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C14H18N4O2/c15-11-6-4-5-10(16-11)9-18-12(19)14(17-13(18)20)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H2,15,16)(H,17,20)
InChIKeyQXYULWYBBQPFLO-UHFFFAOYSA-N
XLogP1.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43349700
3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79233332
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 163355154
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(1-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355134
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 79232630) is 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Nc1cccc(CN2C(=O)NC3(CCCCC3)C2=O)n1.
What is the InChIKey of 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QXYULWYBBQPFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-11-6-4-5-10(16-11)9-18-12(19)14(17-13(18)20)7-2-1-3-8-14/h4-6H,1-3,7-9H2,(H2,15,16)(H,17,20).
What are the key properties of 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 79232630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).