(2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C11H15N3O — CID 22691355

IUPAC(2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CCCN1
InChIInChI=1S/C11H15N3O/c15-11(10-5-3-7-13-10)14-8-9-4-1-2-6-12-9/h1-2,4,6,10,13H,3,5,7-8H2,(H,14,15)/t10-/m0/s1
InChIKeyZLKRJXCCBFYXOM-JTQLQIEISA-N
MW205.26 g/mol
LogP0.45
Rot. Bonds3

About (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 22691355) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID22691355
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccn1)[C@@H]1CCCN1
InChIInChI=1S/C11H15N3O/c15-11(10-5-3-7-13-10)14-8-9-4-1-2-6-12-9/h1-2,4,6,10,13H,3,5,7-8H2,(H,14,15)/t10-/m0/s1
InChIKeyZLKRJXCCBFYXOM-JTQLQIEISA-N
XLogP0.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Norcotinine
CID 413
2-Pyridinecarboxamide
CID 15070
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
1H-pyrrole-2-carboxamide
CID 573553
Demethylcotinine
CID 92223
2-Pyridineacetamide
CID 227129
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 22691355) is (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccccn1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZLKRJXCCBFYXOM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O/c15-11(10-5-3-7-13-10)14-8-9-4-1-2-6-12-9/h1-2,4,6,10,13H,3,5,7-8H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22691355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).