6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H26N4O3 — CID 51326593

IUPAC6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)/N=c1\ccccn1C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C19H26N4O3/c1-13(2)20-15-9-5-7-11-22(15)16(24)12-23-17(25)19(21-18(23)26)10-6-4-8-14(19)3/h5,7,9,11,13-14H,4,6,8,10,12H2,1-3H3,(H,21,26)/b20-15+
InChIKeyFADKWBRLIQBNNV-HMMYKYKNSA-N
MW358.44 g/mol
LogP1.94
Rot. Bonds3

About 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51326593) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51326593
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)/N=c1\ccccn1C(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C19H26N4O3/c1-13(2)20-15-9-5-7-11-22(15)16(24)12-23-17(25)19(21-18(23)26)10-6-4-8-14(19)3/h5,7,9,11,13-14H,4,6,8,10,12H2,1-3H3,(H,21,26)/b20-15+
InChIKeyFADKWBRLIQBNNV-HMMYKYKNSA-N
XLogP1.94
TPSA83.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
(5R,6S)-6-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9328407
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012
(5R,6R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11892777
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51326593) is 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)/N=c1\ccccn1C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is FADKWBRLIQBNNV-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)20-15-9-5-7-11-22(15)16(24)12-23-17(25)19(21-18(23)26)10-6-4-8-14(19)3/h5,7,9,11,13-14H,4,6,8,10,12H2,1-3H3,(H,21,26)/b20-15+.
What are the key properties of 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51326593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).