N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide

C17H19F3N4O2 — CID 168923872

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
SMILESCC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2/c1-11(2)24(10-14(25)13-4-3-5-21-9-13)15(26)6-12-7-22-16(23-8-12)17(18,19)20/h3-5,7-9,11,14,25H,6,10H2,1-2H3/t14-/m1/s1
InChIKeyLMSSRNMZUJXMNN-CQSZACIVSA-N
MW368.36 g/mol
LogP2.40
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide (PubChem CID 168923872) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
PubChem CID168923872
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
SMILESCC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2/c1-11(2)24(10-14(25)13-4-3-5-21-9-13)15(26)6-12-7-22-16(23-8-12)17(18,19)20/h3-5,7-9,11,14,25H,6,10H2,1-2H3/t14-/m1/s1
InChIKeyLMSSRNMZUJXMNN-CQSZACIVSA-N
XLogP2.40
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide (CID 168923872) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide is CC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The InChIKey is LMSSRNMZUJXMNN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11(2)24(10-14(25)13-4-3-5-21-9-13)15(26)6-12-7-22-16(23-8-12)17(18,19)20/h3-5,7-9,11,14,25H,6,10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 168923872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).