2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide

C21H29N5O4 — CID 55714060

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCC1CN(c2ccc(CNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cn2)CCO1
InChIInChI=1S/C21H29N5O4/c1-15-13-25(9-10-30-15)17-6-5-16(11-22-17)12-23-18(27)14-26-19(28)21(24-20(26)29)7-3-2-4-8-21/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,23,27)(H,24,29)
InChIKeyGEGBKTUAVONBBM-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.18
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 55714060) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
PubChem CID55714060
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCC1CN(c2ccc(CNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cn2)CCO1
InChIInChI=1S/C21H29N5O4/c1-15-13-25(9-10-30-15)17-6-5-16(11-22-17)12-23-18(27)14-26-19(28)21(24-20(26)29)7-3-2-4-8-21/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,23,27)(H,24,29)
InChIKeyGEGBKTUAVONBBM-UHFFFAOYSA-N
XLogP1.18
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]acetamide
CID 51949997
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55749706
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 55746729
1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51084320
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744843
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
2,2,6-trimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 48712827
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55746766
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide (CID 55714060) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide is CC1CN(c2ccc(CNC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cn2)CCO1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is GEGBKTUAVONBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-15-13-25(9-10-30-15)17-6-5-16(11-22-17)12-23-18(27)14-26-19(28)21(24-20(26)29)7-3-2-4-8-21/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55714060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).