5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide

C11H14N4O2 — CID 168697321

IUPAC5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2cncnc2)C1
InChIInChI=1S/C11H14N4O2/c12-11(17)9-3-10(16)15(6-9)2-1-8-4-13-7-14-5-8/h4-5,7,9H,1-3,6H2,(H2,12,17)
InChIKeyYDEZBEVYBKBSDH-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.65
Rot. Bonds4

About 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide

5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 168697321) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
PubChem CID168697321
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2cncnc2)C1
InChIInChI=1S/C11H14N4O2/c12-11(17)9-3-10(16)15(6-9)2-1-8-4-13-7-14-5-8/h4-5,7,9H,1-3,6H2,(H2,12,17)
InChIKeyYDEZBEVYBKBSDH-UHFFFAOYSA-N
XLogP-0.65
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697270
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714934
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide (CID 168697321) is 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(CCc2cncnc2)C1.
What is the InChIKey of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is YDEZBEVYBKBSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-11(17)9-3-10(16)15(6-9)2-1-8-4-13-7-14-5-8/h4-5,7,9H,1-3,6H2,(H2,12,17).
What are the key properties of 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 234.26 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).