5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide

C19H21N3O3 — CID 136664872

IUPAC5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NC1CC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H21N3O3/c23-17(13-5-2-1-3-6-13)7-4-8-18(24)22-15-9-14(10-15)16-11-19(25)21-12-20-16/h1-3,5-6,11-12,14-15H,4,7-10H2,(H,22,24)(H,20,21,25)
InChIKeyNPSONVLDDJUVDB-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.19
Rot. Bonds7

About 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide

5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide (PubChem CID 136664872) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide.

Molecular Properties

Compound Name5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide
PubChem CID136664872
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide
SMILESO=C(CCCC(=O)c1ccccc1)NC1CC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H21N3O3/c23-17(13-5-2-1-3-6-13)7-4-8-18(24)22-15-9-14(10-15)16-11-19(25)21-12-20-16/h1-3,5-6,11-12,14-15H,4,7-10H2,(H,22,24)(H,20,21,25)
InChIKeyNPSONVLDDJUVDB-UHFFFAOYSA-N
XLogP2.19
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
CID 136664987
3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
CID 136662321
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
4-fluoro-3-methyl-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]benzamide
CID 136664769
5-oxo-N-(oxolan-3-yl)-5-phenylpentanamide
CID 86287240
4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
CID 136662274
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide
CID 70745414
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-5-phenylpentanamide
CID 108807515
N-cyclopropyl-5-(3,4-dimethylphenyl)-5-oxopentanamide
CID 94272868

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide?
The IUPAC name of 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide (CID 136664872) is 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide.
What is the SMILES notation for 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide?
The canonical SMILES for 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide is O=C(CCCC(=O)c1ccccc1)NC1CC(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide?
The InChIKey is NPSONVLDDJUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(13-5-2-1-3-6-13)7-4-8-18(24)22-15-9-14(10-15)16-11-19(25)21-12-20-16/h1-3,5-6,11-12,14-15H,4,7-10H2,(H,22,24)(H,20,21,25).
What are the key properties of 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide?
5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide has a molecular weight of 339.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide is sourced from PubChem (CID 136664872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).