(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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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).