(2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide

C12H14FN3O2 — CID 91660326

IUPAC(2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccncc1F
InChIInChI=1S/C12H14FN3O2/c1-8(17)16-6-2-3-11(16)12(18)15-10-4-5-14-7-9(10)13/h4-5,7,11H,2-3,6H2,1H3,(H,14,15,18)/t11-/m0/s1
InChIKeyRCSBIXSFXPDDQU-NSHDSACASA-N
MW251.26 g/mol
LogP1.17
Rot. Bonds2

About (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 91660326) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID91660326
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccncc1F
InChIInChI=1S/C12H14FN3O2/c1-8(17)16-6-2-3-11(16)12(18)15-10-4-5-14-7-9(10)13/h4-5,7,11H,2-3,6H2,1H3,(H,14,15,18)/t11-/m0/s1
InChIKeyRCSBIXSFXPDDQU-NSHDSACASA-N
XLogP1.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide (CID 91660326) is (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1ccncc1F.
What is the InChIKey of (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is RCSBIXSFXPDDQU-NSHDSACASA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-8(17)16-6-2-3-11(16)12(18)15-10-4-5-14-7-9(10)13/h4-5,7,11H,2-3,6H2,1H3,(H,14,15,18)/t11-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91660326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).