3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H25FN4O3 — CID 166623583

IUPAC3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3ccncc3F)CC2)C1=O
InChIInChI=1S/C19H25FN4O3/c1-4-23-17(26)19(24(18(23)27)12-13(2)3)6-9-22(10-7-19)16(25)14-5-8-21-11-15(14)20/h5,8,11,13H,4,6-7,9-10,12H2,1-3H3
InChIKeyXHSMNDOSHLZWJZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.14
Rot. Bonds4

About 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166623583) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166623583
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3ccncc3F)CC2)C1=O
InChIInChI=1S/C19H25FN4O3/c1-4-23-17(26)19(24(18(23)27)12-13(2)3)6-9-22(10-7-19)16(25)14-5-8-21-11-15(14)20/h5,8,11,13H,4,6-7,9-10,12H2,1-3H3
InChIKeyXHSMNDOSHLZWJZ-UHFFFAOYSA-N
XLogP2.14
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-8-(2-hydroxy-4-methoxybenzoyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623046
3-ethyl-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;formic acid
CID 171322598
3-ethyl-8-[2-(3-fluorophenyl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615143
8-(4-chloro-1-methylpyrrole-2-carbonyl)-3-ethyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613314
8-(4-methylbenzoyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166621081
acetic acid;8-(2-fluoro-4-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166600307
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
3-(cyclobutylmethyl)-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616411
N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-8-(pyridazine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 166619253
8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615547
3-ethyl-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 64949282
3-(cyclopropylmethyl)-1-(2-methylpropyl)-8-(2-pyridin-3-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617344

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166623583) is 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3ccncc3F)CC2)C1=O.
What is the InChIKey of 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XHSMNDOSHLZWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-4-23-17(26)19(24(18(23)27)12-13(2)3)6-9-22(10-7-19)16(25)14-5-8-21-11-15(14)20/h5,8,11,13H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 376.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166623583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).