N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide

C18H20F3N3O2 — CID 162379826

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(C(F)(F)F)nc1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C18H20F3N3O2/c1-2-17(26)24(12-15(25)14-4-3-8-22-11-14)9-7-13-5-6-16(23-10-13)18(19,20)21/h3-6,8,10-11,15,25H,2,7,9,12H2,1H3/t15-/m1/s1
InChIKeyNYZXBRWQBCHXHV-OAHLLOKOSA-N
MW367.37 g/mol
LogP3.01
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide (PubChem CID 162379826) 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-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
PubChem CID162379826
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(C(F)(F)F)nc1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C18H20F3N3O2/c1-2-17(26)24(12-15(25)14-4-3-8-22-11-14)9-7-13-5-6-16(23-10-13)18(19,20)21/h3-6,8,10-11,15,25H,2,7,9,12H2,1H3/t15-/m1/s1
InChIKeyNYZXBRWQBCHXHV-OAHLLOKOSA-N
XLogP3.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide (CID 162379826) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide is CCC(=O)N(CCc1ccc(C(F)(F)F)nc1)C[C@@H](O)c1cccnc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
The InChIKey is NYZXBRWQBCHXHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-2-17(26)24(12-15(25)14-4-3-8-22-11-14)9-7-13-5-6-16(23-10-13)18(19,20)21/h3-6,8,10-11,15,25H,2,7,9,12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 3.01, 7 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-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanamide is sourced from PubChem (CID 162379826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).