3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C15H20N6O3 — CID 135484546

IUPAC3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESO=C(CCn1cnc2c(=O)[nH]cnc21)NCCCN1CCCC1=O
InChIInChI=1S/C15H20N6O3/c22-11(16-5-2-7-20-6-1-3-12(20)23)4-8-21-10-19-13-14(21)17-9-18-15(13)24/h9-10H,1-8H2,(H,16,22)(H,17,18,24)
InChIKeyFBVDVFULNXWYRF-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.36
Rot. Bonds7

About 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 135484546) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID135484546
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESO=C(CCn1cnc2c(=O)[nH]cnc21)NCCCN1CCCC1=O
InChIInChI=1S/C15H20N6O3/c22-11(16-5-2-7-20-6-1-3-12(20)23)4-8-21-10-19-13-14(21)17-9-18-15(13)24/h9-10H,1-8H2,(H,16,22)(H,17,18,24)
InChIKeyFBVDVFULNXWYRF-UHFFFAOYSA-N
XLogP-0.36
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 135484546) is 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is O=C(CCn1cnc2c(=O)[nH]cnc21)NCCCN1CCCC1=O.
What is the InChIKey of 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is FBVDVFULNXWYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c22-11(16-5-2-7-20-6-1-3-12(20)23)4-8-21-10-19-13-14(21)17-9-18-15(13)24/h9-10H,1-8H2,(H,16,22)(H,17,18,24).
What are the key properties of 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 332.36 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-purin-9-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 135484546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).