(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide

C9H10F2N4O — CID 59436448

IUPAC(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C9H10F2N4O/c10-9(11)3-6(14-5-9)8(16)15-7-4-12-1-2-13-7/h1-2,4,6,14H,3,5H2,(H,13,15,16)/t6-/m0/s1
InChIKeyJJWQEMRESPTGFT-LURJTMIESA-N
MW228.20 g/mol
LogP0.41
Rot. Bonds2

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

(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 59436448) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID59436448
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Name(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C9H10F2N4O/c10-9(11)3-6(14-5-9)8(16)15-7-4-12-1-2-13-7/h1-2,4,6,14H,3,5H2,(H,13,15,16)/t6-/m0/s1
InChIKeyJJWQEMRESPTGFT-LURJTMIESA-N
XLogP0.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.41
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
4-(Pyrazin-2-ylamino)-1-(prop-2-yn-1-yl)-4-(trifluoromethyl)-1h-imidazol-5(4h)-one
CID 137700940
1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 75508740
4,4,4-trifluoro-N-pyrazin-2-ylbutanamide
CID 75508760
(2S)-4,4-Difluoro-1-[2-[[1-(2-pyrazinyl)-4-piperidinyl]amino]acetyl]-2-pyrrolidinecarbonitrile
CID 10308936
(2S,4R)-4-Fluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436310
(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
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)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 59436448) is (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide is O=C(Nc1cnccn1)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JJWQEMRESPTGFT-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F2N4O/c10-9(11)3-6(14-5-9)8(16)15-7-4-12-1-2-13-7/h1-2,4,6,14H,3,5H2,(H,13,15,16)/t6-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 228.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59436448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).