(2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide

C16H21N3O3 — CID 100747230

IUPAC(2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC2CCC(Oc3ccccn3)CC2)N1
InChIInChI=1S/C16H21N3O3/c20-14-9-8-13(19-14)16(21)18-11-4-6-12(7-5-11)22-15-3-1-2-10-17-15/h1-3,10-13H,4-9H2,(H,18,21)(H,19,20)/t11?,12?,13-/m0/s1
InChIKeyOBTYUCFIHLMULI-BPCQOVAHSA-N
MW303.36 g/mol
LogP1.17
Rot. Bonds4

About (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide

(2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 100747230) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
PubChem CID100747230
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC2CCC(Oc3ccccn3)CC2)N1
InChIInChI=1S/C16H21N3O3/c20-14-9-8-13(19-14)16(21)18-11-4-6-12(7-5-11)22-15-3-1-2-10-17-15/h1-3,10-13H,4-9H2,(H,18,21)(H,19,20)/t11?,12?,13-/m0/s1
InChIKeyOBTYUCFIHLMULI-BPCQOVAHSA-N
XLogP1.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide (CID 100747230) is (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NC2CCC(Oc3ccccn3)CC2)N1.
What is the InChIKey of (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is OBTYUCFIHLMULI-BPCQOVAHSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14-9-8-13(19-14)16(21)18-11-4-6-12(7-5-11)22-15-3-1-2-10-17-15/h1-3,10-13H,4-9H2,(H,18,21)(H,19,20)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-(4-pyridin-2-yloxycyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 100747230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).