3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

C20H27N5O3 — CID 43041648

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H27N5O3/c26-17(22-15-6-7-16(21-14-15)24-11-4-5-12-24)8-13-25-18(27)20(23-19(25)28)9-2-1-3-10-20/h6-7,14H,1-5,8-13H2,(H,22,26)(H,23,28)
InChIKeyAJLJCTQCCPMEHY-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.27
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 43041648) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID43041648
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H27N5O3/c26-17(22-15-6-7-16(21-14-15)24-11-4-5-12-24)8-13-25-18(27)20(23-19(25)28)9-2-1-3-10-20/h6-7,14H,1-5,8-13H2,(H,22,26)(H,23,28)
InChIKeyAJLJCTQCCPMEHY-UHFFFAOYSA-N
XLogP2.27
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.27
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

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55749706
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[4.5]decan-3-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 55635310
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 18151188
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833231
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 43041648) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is AJLJCTQCCPMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-17(22-15-6-7-16(21-14-15)24-11-4-5-12-24)8-13-25-18(27)20(23-19(25)28)9-2-1-3-10-20/h6-7,14H,1-5,8-13H2,(H,22,26)(H,23,28).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 385.47 g/mol, XLogP of 2.27, 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-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 43041648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).