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

C19H22F3N3O2 — CID 162379767

IUPACN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)C(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H22F3N3O2/c1-3-9-25(12-16(26)15-5-4-8-23-10-15)18(27)13(2)14-6-7-17(24-11-14)19(20,21)22/h4-8,10-11,13,16,26H,3,9,12H2,1-2H3/t13?,16-/m1/s1
InChIKeyBVFLJYHQLNDIPG-FQNRMIAFSA-N
MW381.40 g/mol
LogP3.57
Rot. Bonds7

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

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 162379767) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID162379767
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)C(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H22F3N3O2/c1-3-9-25(12-16(26)15-5-4-8-23-10-15)18(27)13(2)14-6-7-17(24-11-14)19(20,21)22/h4-8,10-11,13,16,26H,3,9,12H2,1-2H3/t13?,16-/m1/s1
InChIKeyBVFLJYHQLNDIPG-FQNRMIAFSA-N
XLogP3.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.57
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-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 162379767) is N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)C(C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is BVFLJYHQLNDIPG-FQNRMIAFSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-3-9-25(12-16(26)15-5-4-8-23-10-15)18(27)13(2)14-6-7-17(24-11-14)19(20,21)22/h4-8,10-11,13,16,26H,3,9,12H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 381.40 g/mol, XLogP of 3.57, 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-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 162379767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).