(2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C9H11FN4O — CID 59436310

IUPAC(2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C9H11FN4O/c10-6-3-7(13-4-6)9(15)14-8-5-11-1-2-12-8/h1-2,5-7,13H,3-4H2,(H,12,14,15)/t6-,7+/m1/s1
InChIKeyLFQLORNGNZTAJM-RQJHMYQMSA-N
MW210.21 g/mol
LogP0.12
Rot. Bonds2

About (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 59436310) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID59436310
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name(2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C9H11FN4O/c10-6-3-7(13-4-6)9(15)14-8-5-11-1-2-12-8/h1-2,5-7,13H,3-4H2,(H,12,14,15)/t6-,7+/m1/s1
InChIKeyLFQLORNGNZTAJM-RQJHMYQMSA-N
XLogP0.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrazin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565870
5,5-Dimethyl-3-pyrazin-2-ylimidazolidine-2,4-dione
CID 162655970
1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 75508740
4,4,4-trifluoro-N-pyrazin-2-ylbutanamide
CID 75508760
(4S)-4-[[3-(dimethylamino)pyrazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 164631980
(S)-tert-Butyl 4,4-difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 59436366
(2S,4R)-tert-Butyl 4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 59436441
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
1-(3,3-Difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
CID 67000785
Tert-butyl 4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68472170
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
4,4-Difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68474354

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 59436310) is (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide is O=C(Nc1cnccn1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LFQLORNGNZTAJM-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H11FN4O/c10-6-3-7(13-4-6)9(15)14-8-5-11-1-2-12-8/h1-2,5-7,13H,3-4H2,(H,12,14,15)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 210.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59436310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).