(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

C10H12BrFN4O — CID 126623415

IUPAC(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1ncc(NC(=O)[C@@H]2C[C@@H](F)CN2)nc1Br
InChIInChI=1S/C10H12BrFN4O/c1-5-9(11)15-8(4-13-5)16-10(17)7-2-6(12)3-14-7/h4,6-7,14H,2-3H2,1H3,(H,15,16,17)/t6-,7+/m1/s1
InChIKeyDDEYZAPKTAYSPL-RQJHMYQMSA-N
MW303.14 g/mol
LogP1.19
Rot. Bonds2

About (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 126623415) has the molecular formula C10H12BrFN4O and a molecular weight of 303.14 g/mol. Its IUPAC name is (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID126623415
Molecular FormulaC10H12BrFN4O
Molecular Weight303.14 g/mol
Exact Mass302.02
IUPAC Name(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESCc1ncc(NC(=O)[C@@H]2C[C@@H](F)CN2)nc1Br
InChIInChI=1S/C10H12BrFN4O/c1-5-9(11)15-8(4-13-5)16-10(17)7-2-6(12)3-14-7/h4,6-7,14H,2-3H2,1H3,(H,15,16,17)/t6-,7+/m1/s1
InChIKeyDDEYZAPKTAYSPL-RQJHMYQMSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126618333
N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623323
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 126643496
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 126643497
(2S,4R)-N-chloro-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 140318889
(2S,4R)-N-(6-bromopyrazin-2-yl)-N-chloro-4-fluoropyrrolidine-2-carboxamide
CID 140318894
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-N-chloro-4-fluoropyrrolidine-2-carboxamide
CID 140318931
N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 140775531
ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 156837542
(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
CID 156877040
N-(6-bromopyrazin-2-yl)-4-fluoro-4-methylpyrrolidine-2-carboxamide
CID 168753801
4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 175776749

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (CID 126623415) is (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is Cc1ncc(NC(=O)[C@@H]2C[C@@H](F)CN2)nc1Br.
What is the InChIKey of (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is DDEYZAPKTAYSPL-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H12BrFN4O/c1-5-9(11)15-8(4-13-5)16-10(17)7-2-6(12)3-14-7/h4,6-7,14H,2-3H2,1H3,(H,15,16,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 303.14 g/mol, XLogP of 1.19, 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-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 126623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).