3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide

C22H24N4O3 — CID 134021260

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C22H24N4O3/c27-18(10-15-26-20(28)22(25-21(26)29)11-4-5-12-22)24-19(16-6-2-1-3-7-16)17-8-13-23-14-9-17/h1-3,6-9,13-14,19H,4-5,10-12,15H2,(H,24,27)(H,25,29)
InChIKeyYWSVRCQJMFCABR-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.54
Rot. Bonds6

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide (PubChem CID 134021260) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
PubChem CID134021260
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C22H24N4O3/c27-18(10-15-26-20(28)22(25-21(26)29)11-4-5-12-22)24-19(16-6-2-1-3-7-16)17-8-13-23-14-9-17/h1-3,6-9,13-14,19H,4-5,10-12,15H2,(H,24,27)(H,25,29)
InChIKeyYWSVRCQJMFCABR-UHFFFAOYSA-N
XLogP2.54
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 24648979
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24556797
N-(3,3-dimethyl-1-phenylbutyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55689995
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
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-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 52523120
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide (CID 134021260) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The InChIKey is YWSVRCQJMFCABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-18(10-15-26-20(28)22(25-21(26)29)11-4-5-12-22)24-19(16-6-2-1-3-7-16)17-8-13-23-14-9-17/h1-3,6-9,13-14,19H,4-5,10-12,15H2,(H,24,27)(H,25,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 134021260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).