N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C18H20F3N3O2 — CID 162379713

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H20F3N3O2/c1-12(2)24(11-15(25)14-4-3-7-22-10-14)17(26)8-13-5-6-16(23-9-13)18(19,20)21/h3-7,9-10,12,15,25H,8,11H2,1-2H3/t15-/m1/s1
InChIKeyXAHFSLFXXBYASQ-OAHLLOKOSA-N
MW367.37 g/mol
LogP3.01
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379713) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379713
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H20F3N3O2/c1-12(2)24(11-15(25)14-4-3-7-22-10-14)17(26)8-13-5-6-16(23-9-13)18(19,20)21/h3-7,9-10,12,15,25H,8,11H2,1-2H3/t15-/m1/s1
InChIKeyXAHFSLFXXBYASQ-OAHLLOKOSA-N
XLogP3.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379713) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is XAHFSLFXXBYASQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-12(2)24(11-15(25)14-4-3-7-22-10-14)17(26)8-13-5-6-16(23-9-13)18(19,20)21/h3-7,9-10,12,15,25H,8,11H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).