8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H32N4O3 — CID 166615547

IUPAC8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3cc(C)nc(C)c3)CC2)C1=O
InChIInChI=1S/C22H32N4O3/c1-6-9-25-20(28)22(26(21(25)29)14-15(2)3)7-10-24(11-8-22)19(27)18-12-16(4)23-17(5)13-18/h12-13,15H,6-11,14H2,1-5H3
InChIKeyQUKUIACLBGYUIZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.00
Rot. Bonds5

About 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166615547) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166615547
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3cc(C)nc(C)c3)CC2)C1=O
InChIInChI=1S/C22H32N4O3/c1-6-9-25-20(28)22(26(21(25)29)14-15(2)3)7-10-24(11-8-22)19(27)18-12-16(4)23-17(5)13-18/h12-13,15H,6-11,14H2,1-5H3
InChIKeyQUKUIACLBGYUIZ-UHFFFAOYSA-N
XLogP3.00
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.00
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

8-(4-methylbenzoyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166621081
3-(3-hydroxypropyl)-8-(5-methyl-1,2-oxazole-3-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613177
3-methyl-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428440
1-(2-methylpropyl)-8-[2-(2-oxo-1-pyridinyl)acetyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166622379
8-(4-chloro-1-methylpyrrole-2-carbonyl)-3-ethyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613314
3-(cyclobutylmethyl)-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616411
3-ethyl-8-(2-hydroxy-4-methoxybenzoyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623046
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171322569
3-ethyl-8-(3-fluoropyridine-4-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166623583
4-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl]benzonitrile
CID 165417513
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

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166615547) is 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)N(CC(C)C)C2(CCN(C(=O)c3cc(C)nc(C)c3)CC2)C1=O.
What is the InChIKey of 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QUKUIACLBGYUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-6-9-25-20(28)22(26(21(25)29)14-15(2)3)7-10-24(11-8-22)19(27)18-12-16(4)23-17(5)13-18/h12-13,15H,6-11,14H2,1-5H3.
What are the key properties of 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 400.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylpyridine-4-carbonyl)-1-(2-methylpropyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166615547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).