9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione

C16H19N3O3 — CID 155579356

IUPAC9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)ccn1
InChIInChI=1S/C16H19N3O3/c1-11-8-12(2-5-17-11)15(22)19-6-3-16(4-7-19)9-13(20)18-14(21)10-16/h2,5,8H,3-4,6-7,9-10H2,1H3,(H,18,20,21)
InChIKeyQFJXHIFLLLJJDK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.05
Rot. Bonds1

About 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione

9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 155579356) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
PubChem CID155579356
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)ccn1
InChIInChI=1S/C16H19N3O3/c1-11-8-12(2-5-17-11)15(22)19-6-3-16(4-7-19)9-13(20)18-14(21)10-16/h2,5,8H,3-4,6-7,9-10H2,1H3,(H,18,20,21)
InChIKeyQFJXHIFLLLJJDK-UHFFFAOYSA-N
XLogP1.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione (CID 155579356) is 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)ccn1.
What is the InChIKey of 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is QFJXHIFLLLJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-8-12(2-5-17-11)15(22)19-6-3-16(4-7-19)9-13(20)18-14(21)10-16/h2,5,8H,3-4,6-7,9-10H2,1H3,(H,18,20,21).
What are the key properties of 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 155579356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).