(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide

C15H20N4O3 — CID 100749039

IUPAC(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2CCC(Oc3ncccn3)CC2)N1
InChIInChI=1S/C15H20N4O3/c20-13-7-6-12(19-13)14(21)18-10-2-4-11(5-3-10)22-15-16-8-1-9-17-15/h1,8-12H,2-7H2,(H,18,21)(H,19,20)/t10?,11?,12-/m1/s1
InChIKeyAZKNCSVYLVJACV-HTAVTVPLSA-N
MW304.35 g/mol
LogP0.56
Rot. Bonds4

About (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide

(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 100749039) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
PubChem CID100749039
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NC2CCC(Oc3ncccn3)CC2)N1
InChIInChI=1S/C15H20N4O3/c20-13-7-6-12(19-13)14(21)18-10-2-4-11(5-3-10)22-15-16-8-1-9-17-15/h1,8-12H,2-7H2,(H,18,21)(H,19,20)/t10?,11?,12-/m1/s1
InChIKeyAZKNCSVYLVJACV-HTAVTVPLSA-N
XLogP0.56
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide (CID 100749039) is (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NC2CCC(Oc3ncccn3)CC2)N1.
What is the InChIKey of (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is AZKNCSVYLVJACV-HTAVTVPLSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-13-7-6-12(19-13)14(21)18-10-2-4-11(5-3-10)22-15-16-8-1-9-17-15/h1,8-12H,2-7H2,(H,18,21)(H,19,20)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 100749039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).