(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide

C16H14F3N5O — CID 33480155

IUPAC(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
SMILESNC(=O)[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)11-6-7-12-22-23-13(24(12)9-11)8-21-14(15(20)25)10-4-2-1-3-5-10/h1-7,9,14,21H,8H2,(H2,20,25)/t14-/m0/s1
InChIKeyKYEQBMURIYZOGJ-AWEZNQCLSA-N
MW349.32 g/mol
LogP2.06
Rot. Bonds5

About (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide

(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide (PubChem CID 33480155) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
PubChem CID33480155
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
SMILESNC(=O)[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)11-6-7-12-22-23-13(24(12)9-11)8-21-14(15(20)25)10-4-2-1-3-5-10/h1-7,9,14,21H,8H2,(H2,20,25)/t14-/m0/s1
InChIKeyKYEQBMURIYZOGJ-AWEZNQCLSA-N
XLogP2.06
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide with MolForge

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Related Compounds

CID 11576569
CID 11576569
6-(4-{(1S,2S)-2-Amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-YL]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium
CID 10320144
(2s,3s)-3-Amino-4-(3,3-Difluoropyrrolidin-1-Yl)-N,N-Dimethyl-4-Oxo-2-(Trans-4-[1,2,4]triazolo[1,5-A]pyridin-6-Ylcyclohexyl)butanamide
CID 11554165
3-(3-Tert-Butyl[1,2,4]triazolo[4,3-A]pyridin-7-Yl)-N-Cyclopropyl-4-Methylbenzamide
CID 25059320
Phenylalanine derived inhibitor, 5
CID 23647693
Biarylphenylalanine (S)-Fluoropyrrolidide Amide 22
CID 91895715
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(4-{[1,2,4]triazolo[1,5-a]pyridin-7-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895716
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(4-{pyrazolo[1,5-a]pyrimidin-5-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895717
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895719
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895721
(1S,2S)-1-(dimethylcarbamoyl)-3-(3-fluoroazetidin-1-yl)-3-oxo-1-(4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895722
(2S,3S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(dimethylcarbamoyl)-1-oxo-3-(4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide (CID 33480155) is (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide is NC(=O)[C@@H](NCc1nnc2ccc(C(F)(F)F)cn12)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide?
The InChIKey is KYEQBMURIYZOGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)11-6-7-12-22-23-13(24(12)9-11)8-21-14(15(20)25)10-4-2-1-3-5-10/h1-7,9,14,21H,8H2,(H2,20,25)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide?
(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide has a molecular weight of 349.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide is sourced from PubChem (CID 33480155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).