N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide

C16H20F3N5O3 — CID 123253353

IUPACN-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(OCC(F)(F)F)cn1)c1cn(C(C)(C)CO)nn1
InChIInChI=1S/C16H20F3N5O3/c1-10(26)21-14(13-7-24(23-22-13)15(2,3)8-25)12-5-4-11(6-20-12)27-9-16(17,18)19/h4-7,14,25H,8-9H2,1-3H3,(H,21,26)/t14-/m0/s1
InChIKeyWWFCXSYZUZFCHB-AWEZNQCLSA-N
MW387.36 g/mol
LogP1.57
Rot. Bonds7

About N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide

N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide (PubChem CID 123253353) has the molecular formula C16H20F3N5O3 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
PubChem CID123253353
Molecular FormulaC16H20F3N5O3
Molecular Weight387.36 g/mol
Exact Mass387.15
IUPAC NameN-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccc(OCC(F)(F)F)cn1)c1cn(C(C)(C)CO)nn1
InChIInChI=1S/C16H20F3N5O3/c1-10(26)21-14(13-7-24(23-22-13)15(2,3)8-25)12-5-4-11(6-20-12)27-9-16(17,18)19/h4-7,14,25H,8-9H2,1-3H3,(H,21,26)/t14-/m0/s1
InChIKeyWWFCXSYZUZFCHB-AWEZNQCLSA-N
XLogP1.57
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]triazol-4-yl]butan-1-ol
CID 70668920
N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
CID 130360895
6-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methyl-4-((1-methyl-1H-1,2,3-triazol-4-yl)methylamino)pyridazin-3(2H)-one
CID 117610241
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyltriazol-4-yl)methylamino]pyridazin-3-one
CID 118662877
US11365192, Example 35-2
CID 165112545
US11365192, Example 35-3
CID 165112546
1-cycloheptyl-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
CID 42292778
2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765310
3-[[(2S)-azetidin-2-yl]methoxy]-5-[4-(5,5,5-trifluoropentyl)triazol-1-yl]pyridine
CID 44556263
2-(4-tert-butylphenyl)-N-[(R)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]acetamide
CID 52932052
2-(4-tert-butylphenyl)-N-[(S)-2H-triazol-4-yl-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]acetamide
CID 52932101
methyl 2-[4-[(R)-[[2-(4-tert-butylphenyl)acetyl]amino]-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]triazol-1-yl]-2-methylpropanoate
CID 52932102

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide (CID 123253353) is N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide is CC(=O)N[C@@H](c1ccc(OCC(F)(F)F)cn1)c1cn(C(C)(C)CO)nn1.
What is the InChIKey of N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
The InChIKey is WWFCXSYZUZFCHB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F3N5O3/c1-10(26)21-14(13-7-24(23-22-13)15(2,3)8-25)12-5-4-11(6-20-12)27-9-16(17,18)19/h4-7,14,25H,8-9H2,1-3H3,(H,21,26)/t14-/m0/s1.
What are the key properties of N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide?
N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide has a molecular weight of 387.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[1-(1-hydroxy-2-methylpropan-2-yl)triazol-4-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 123253353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).