(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide

C11H15F3N4O2 — CID 167249058

IUPAC(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide
SMILESCNC(=O)[C@H](O)CN[C@@H](C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O2/c1-6(16-4-8(19)10(20)15-2)7-3-18-9(5-17-7)11(12,13)14/h3,5-6,8,16,19H,4H2,1-2H3,(H,15,20)/t6-,8+/m0/s1
InChIKeyBMGUISSWTNFKET-POYBYMJQSA-N
MW292.26 g/mol
LogP0.25
Rot. Bonds5

About (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide

(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide (PubChem CID 167249058) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide
PubChem CID167249058
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide
SMILESCNC(=O)[C@H](O)CN[C@@H](C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C11H15F3N4O2/c1-6(16-4-8(19)10(20)15-2)7-3-18-9(5-17-7)11(12,13)14/h3,5-6,8,16,19H,4H2,1-2H3,(H,15,20)/t6-,8+/m0/s1
InChIKeyBMGUISSWTNFKET-POYBYMJQSA-N
XLogP0.25
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide?
The IUPAC name of (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide (CID 167249058) is (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide is CNC(=O)[C@H](O)CN[C@@H](C)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide?
The InChIKey is BMGUISSWTNFKET-POYBYMJQSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-6(16-4-8(19)10(20)15-2)7-3-18-9(5-17-7)11(12,13)14/h3,5-6,8,16,19H,4H2,1-2H3,(H,15,20)/t6-,8+/m0/s1.
What are the key properties of (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide?
(2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide has a molecular weight of 292.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-methyl-3-[[(1S)-1-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]amino]propanamide is sourced from PubChem (CID 167249058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).