3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H19F3N4O2 — CID 32651025

IUPAC3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H19F3N4O2/c17-16(18,19)11-4-5-12(21-10-11)20-8-3-9-23-13(24)15(22-14(23)25)6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H,20,21)(H,22,25)
InChIKeyLSINUNHCDVYQHV-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.77
Rot. Bonds5

About 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 32651025) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID32651025
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H19F3N4O2/c17-16(18,19)11-4-5-12(21-10-11)20-8-3-9-23-13(24)15(22-14(23)25)6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H,20,21)(H,22,25)
InChIKeyLSINUNHCDVYQHV-UHFFFAOYSA-N
XLogP2.77
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423191
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
CID 47299073
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43600453
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
2,3,5-trimethyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 67069252
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32678207
3-[3-[(5-chloro-2-pyridinyl)amino]propyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 75374277

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 32651025) is 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LSINUNHCDVYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c17-16(18,19)11-4-5-12(21-10-11)20-8-3-9-23-13(24)15(22-14(23)25)6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H,20,21)(H,22,25).
What are the key properties of 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 356.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 32651025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).