[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone

C10H13N3O — CID 53256401

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESN[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C10H13N3O/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7,11H2/t8-/m1/s1
InChIKeyGOJYQFWQFJESHS-MRVPVSSYSA-N
MW191.23 g/mol
LogP0.25
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 53256401) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID53256401
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESN[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C10H13N3O/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7,11H2/t8-/m1/s1
InChIKeyGOJYQFWQFJESHS-MRVPVSSYSA-N
XLogP0.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 53256401) is [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone is N[C@@H]1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GOJYQFWQFJESHS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8-4-6-13(7-8)10(14)9-3-1-2-5-12-9/h1-3,5,8H,4,6-7,11H2/t8-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53256401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).