(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide

C9H10F3N3O2 — CID 100650710

IUPAC(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESNC(=O)[C@@H](O)CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5-1-2-7(14-3-5)15-4-6(16)8(13)17/h1-3,6,16H,4H2,(H2,13,17)(H,14,15)/t6-/m0/s1
InChIKeyXHXKQVPPVAFBEU-LURJTMIESA-N
MW249.19 g/mol
LogP0.36
Rot. Bonds4

About (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide

(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide (PubChem CID 100650710) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
PubChem CID100650710
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESNC(=O)[C@@H](O)CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5-1-2-7(14-3-5)15-4-6(16)8(13)17/h1-3,6,16H,4H2,(H2,13,17)(H,14,15)/t6-/m0/s1
InChIKeyXHXKQVPPVAFBEU-LURJTMIESA-N
XLogP0.36
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The IUPAC name of (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide (CID 100650710) is (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The canonical SMILES for (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide is NC(=O)[C@@H](O)CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The InChIKey is XHXKQVPPVAFBEU-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)5-1-2-7(14-3-5)15-4-6(16)8(13)17/h1-3,6,16H,4H2,(H2,13,17)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
(2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide has a molecular weight of 249.19 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 100650710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).