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

C17H19F3N4O2 — CID 162379804

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2/c1-2-6-24(11-14(25)13-4-3-5-21-10-13)15(26)7-12-8-22-16(23-9-12)17(18,19)20/h3-5,8-10,14,25H,2,6-7,11H2,1H3/t14-/m1/s1
InChIKeyMKNJLZSWRFJMTJ-CQSZACIVSA-N
MW368.36 g/mol
LogP2.41
Rot. Bonds7

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

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide (PubChem CID 162379804) 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-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
PubChem CID162379804
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N4O2/c1-2-6-24(11-14(25)13-4-3-5-21-10-13)15(26)7-12-8-22-16(23-9-12)17(18,19)20/h3-5,8-10,14,25H,2,6-7,11H2,1H3/t14-/m1/s1
InChIKeyMKNJLZSWRFJMTJ-CQSZACIVSA-N
XLogP2.41
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.41
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-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide (CID 162379804) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide is CCCN(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-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
The InChIKey is MKNJLZSWRFJMTJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-2-6-24(11-14(25)13-4-3-5-21-10-13)15(26)7-12-8-22-16(23-9-12)17(18,19)20/h3-5,8-10,14,25H,2,6-7,11H2,1H3/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.41, 7 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-propyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 162379804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).