3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H30N4O4 — CID 165418306

IUPAC3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)c1ccc(C(C)C)[nH]c1=O)CC2
InChIInChI=1S/C21H30N4O4/c1-13(2)12-25-20(29)23(5)19(28)21(25)8-10-24(11-9-21)18(27)15-6-7-16(14(3)4)22-17(15)26/h6-7,13-14H,8-12H2,1-5H3,(H,22,26)
InChIKeyQXRKHWCUMCXHRT-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.02
Rot. Bonds4

About 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165418306) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165418306
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)c1ccc(C(C)C)[nH]c1=O)CC2
InChIInChI=1S/C21H30N4O4/c1-13(2)12-25-20(29)23(5)19(28)21(25)8-10-24(11-9-21)18(27)15-6-7-16(14(3)4)22-17(15)26/h6-7,13-14H,8-12H2,1-5H3,(H,22,26)
InChIKeyQXRKHWCUMCXHRT-UHFFFAOYSA-N
XLogP2.02
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56754996
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 60473451
(2E)-N-[2-(1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-prop-1-en-2-yl-4-(trifluoromethyl)hepta-2,4-dienamide
CID 144940492
3,5-Dimethyl-5-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 71871865
5-{1-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione
CID 56701419
1-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 89862603
4-[4-[[4-ethenyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]methyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxamide
CID 143183805
8-(2-Aminoacetyl)-1-cyclohepta-1,3,6-trien-1-yl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;propane
CID 144940465
5-[(3E,4E)-3-[(Z)-but-2-enylidene]-4-ethylidene-2-oxopyrrolidin-1-yl]-1,3-diazinane-2,4,6-trione;ethane
CID 144947840
5-[(3E,4E)-3-ethylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 155031142
Methane;1-methyl-3-[4-(4-methyl-2-methylidene-5-oxoimidazolidin-4-yl)piperidine-1-carbonyl]-6-propan-2-ylpyridin-2-one
CID 160507414
N-[4-amino-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3,3a-dihydroisoindol-4-yl]butanamide
CID 175445108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165418306) is 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)c1ccc(C(C)C)[nH]c1=O)CC2.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QXRKHWCUMCXHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-13(2)12-25-20(29)23(5)19(28)21(25)8-10-24(11-9-21)18(27)15-6-7-16(14(3)4)22-17(15)26/h6-7,13-14H,8-12H2,1-5H3,(H,22,26).
What are the key properties of 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 402.50 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-8-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165418306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).