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

C10H12BrFN4O — CID 168753801

IUPACN-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
SMILESCC1(F)CNC(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)
InChIKeyWVJWDYOSGVTLOZ-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.27
Rot. Bonds2

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

N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide (PubChem CID 168753801) has the molecular formula C10H12BrFN4O and a molecular weight of 303.14 g/mol. Its IUPAC name is N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
PubChem CID168753801
Molecular FormulaC10H12BrFN4O
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC NameN-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
SMILESCC1(F)CNC(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)
InChIKeyWVJWDYOSGVTLOZ-UHFFFAOYSA-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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Related Compounds

1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 75508740
(2S,4R)-4-Fluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436310
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
Fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68726680
(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126618333
(2S,4R)-2-[(6-bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 126618416
N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623323
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623415
tert-butyl (2S,4R)-2-[(6-bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate
CID 126628223
(2S,4R)-N-(6-chloropyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126643207
(2S,4R)-N-(6-bromopyrazin-2-yl)-N-chloro-4-fluoropyrrolidine-2-carboxamide
CID 140318894

Frequently Asked Questions

What is the IUPAC name of N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide (CID 168753801) is N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide is CC1(F)CNC(C(=O)Nc2cncc(Br)n2)C1.
What is the InChIKey of N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The InChIKey is WVJWDYOSGVTLOZ-UHFFFAOYSA-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).
What are the key properties of N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide?
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 N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 168753801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).