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

C11H13N3O2 — CID 124504604

IUPAC(2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2ccncc2)N1
InChIInChI=1S/C11H13N3O2/c15-10-2-1-9(14-10)11(16)13-7-8-3-5-12-6-4-8/h3-6,9H,1-2,7H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyAWDZDROZFPCHKH-VIFPVBQESA-N
MW219.24 g/mol
LogP-0.02
Rot. Bonds3

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

(2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 124504604) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID124504604
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2ccncc2)N1
InChIInChI=1S/C11H13N3O2/c15-10-2-1-9(14-10)11(16)13-7-8-3-5-12-6-4-8/h3-6,9H,1-2,7H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyAWDZDROZFPCHKH-VIFPVBQESA-N
XLogP-0.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 124504604) is (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCc2ccncc2)N1.
What is the InChIKey of (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is AWDZDROZFPCHKH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-2-1-9(14-10)11(16)13-7-8-3-5-12-6-4-8/h3-6,9H,1-2,7H2,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124504604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).