(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

C10H10F4N4O — CID 126643497

IUPAC(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H10F4N4O/c11-5-1-6(16-2-5)9(19)18-8-4-15-3-7(17-8)10(12,13)14/h3-6,16H,1-2H2,(H,17,18,19)/t5-,6+/m1/s1
InChIKeyYFDALDVMTCSHAA-RITPCOANSA-N
MW278.21 g/mol
LogP1.13
Rot. Bonds2

About (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 126643497) has the molecular formula C10H10F4N4O and a molecular weight of 278.21 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID126643497
Molecular FormulaC10H10F4N4O
Molecular Weight278.21 g/mol
Exact Mass278.08
IUPAC Name(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H10F4N4O/c11-5-1-6(16-2-5)9(19)18-8-4-15-3-7(17-8)10(12,13)14/h3-6,16H,1-2H2,(H,17,18,19)/t5-,6+/m1/s1
InChIKeyYFDALDVMTCSHAA-RITPCOANSA-N
XLogP1.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
3-[4-[(3S,5S)-5-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 68811735
4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118008689
3,3-Difluoro-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 118865451
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 118865470
N-[[(2R)-3,3-difluoropyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 118892048
N-[5-(trifluoromethyl)pyrazin-2-yl]propanamide
CID 121359350
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
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 126643496

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (CID 126643497) is (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1cncc(C(F)(F)F)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is YFDALDVMTCSHAA-RITPCOANSA-N. The full InChI is InChI=1S/C10H10F4N4O/c11-5-1-6(16-2-5)9(19)18-8-4-15-3-7(17-8)10(12,13)14/h3-6,16H,1-2H2,(H,17,18,19)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 278.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126643497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).