3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide

C21H23N5O3 — CID 46653682

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C21H23N5O3/c27-17(24-16-13-22-18(23-14-16)15-7-3-1-4-8-15)9-12-26-19(28)21(25-20(26)29)10-5-2-6-11-21/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,24,27)(H,25,29)
InChIKeyBVVXTJVEIVOARP-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.73
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 46653682) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID46653682
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C21H23N5O3/c27-17(24-16-13-22-18(23-14-16)15-7-3-1-4-8-15)9-12-26-19(28)21(25-20(26)29)10-5-2-6-11-21/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,24,27)(H,25,29)
InChIKeyBVVXTJVEIVOARP-UHFFFAOYSA-N
XLogP2.73
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041648
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 55635310
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 32983881
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 43050602
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55457481
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 43071074
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 134021260

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide (CID 46653682) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is BVVXTJVEIVOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-17(24-16-13-22-18(23-14-16)15-7-3-1-4-8-15)9-12-26-19(28)21(25-20(26)29)10-5-2-6-11-21/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,24,27)(H,25,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 393.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 46653682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).