(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide

C10H12BrFN4O — CID 156877040

IUPAC(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(F)CN[C@H](C(=O)Nc2cncc(Br)n2)C1
InChIInChI=1S/C10H12BrFN4O/c1-10(12)2-6(14-5-10)9(17)16-8-4-13-3-7(11)15-8/h3-4,6,14H,2,5H2,1H3,(H,15,16,17)/t6-,10+/m0/s1
InChIKeyWVJWDYOSGVTLOZ-QUBYGPBYSA-N
MW303.14 g/mol
LogP1.27
Rot. Bonds2

About (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide

(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide (PubChem CID 156877040) has the molecular formula C10H12BrFN4O and a molecular weight of 303.14 g/mol. Its IUPAC name is (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
PubChem CID156877040
Molecular FormulaC10H12BrFN4O
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(F)CN[C@H](C(=O)Nc2cncc(Br)n2)C1
InChIInChI=1S/C10H12BrFN4O/c1-10(12)2-6(14-5-10)9(17)16-8-4-13-3-7(11)15-8/h3-4,6,14H,2,5H2,1H3,(H,15,16,17)/t6-,10+/m0/s1
InChIKeyWVJWDYOSGVTLOZ-QUBYGPBYSA-N
XLogP1.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.27
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-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide (CID 156877040) is (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide is C[C@]1(F)CN[C@H](C(=O)Nc2cncc(Br)n2)C1.
What is the InChIKey of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The InChIKey is WVJWDYOSGVTLOZ-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H12BrFN4O/c1-10(12)2-6(14-5-10)9(17)16-8-4-13-3-7(11)15-8/h3-4,6,14H,2,5H2,1H3,(H,15,16,17)/t6-,10+/m0/s1.
What are the key properties of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide has a molecular weight of 303.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 156877040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).