(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride

C12H15ClFN3O2 — CID 126623430

IUPAC(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)n1.Cl
InChIInChI=1S/C12H14FN3O2.ClH/c1-7(17)9-3-2-4-11(15-9)16-12(18)10-5-8(13)6-14-10;/h2-4,8,10,14H,5-6H2,1H3,(H,15,16,18);1H/t8-,10+;/m1./s1
InChIKeyXIEKIGLXGABWPS-SCYNACPDSA-N
MW287.72 g/mol
LogP1.34
Rot. Bonds3

About (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 126623430) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID126623430
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)n1.Cl
InChIInChI=1S/C12H14FN3O2.ClH/c1-7(17)9-3-2-4-11(15-9)16-12(18)10-5-8(13)6-14-10;/h2-4,8,10,14H,5-6H2,1H3,(H,15,16,18);1H/t8-,10+;/m1./s1
InChIKeyXIEKIGLXGABWPS-SCYNACPDSA-N
XLogP1.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride (CID 126623430) is (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride is CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)n1.Cl.
What is the InChIKey of (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XIEKIGLXGABWPS-SCYNACPDSA-N. The full InChI is InChI=1S/C12H14FN3O2.ClH/c1-7(17)9-3-2-4-11(15-9)16-12(18)10-5-8(13)6-14-10;/h2-4,8,10,14H,5-6H2,1H3,(H,15,16,18);1H/t8-,10+;/m1./s1.
What are the key properties of (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 287.72 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126623430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).