5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C11H13N3O2 — CID 2856818

IUPAC5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2cccnc2)N1
InChIInChI=1S/C11H13N3O2/c15-10-4-3-9(14-10)11(16)13-7-8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15)
InChIKeyKQWADZYYDNZVQA-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.02
Rot. Bonds3

About 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 2856818) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID2856818
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2cccnc2)N1
InChIInChI=1S/C11H13N3O2/c15-10-4-3-9(14-10)11(16)13-7-8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15)
InChIKeyKQWADZYYDNZVQA-UHFFFAOYSA-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 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 2856818) is 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCc2cccnc2)N1.
What is the InChIKey of 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is KQWADZYYDNZVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-4-3-9(14-10)11(16)13-7-8-2-1-5-12-6-8/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15).
What are the key properties of 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
5-oxo-N-(pyridin-3-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 5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 2856818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).