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

C19H20F3N3O2 — CID 162379797

IUPACN-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(C[C@@H](O)c1cccnc1)C1CCC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)17-7-6-13(10-24-17)9-18(27)25(15-4-1-5-15)12-16(26)14-3-2-8-23-11-14/h2-3,6-8,10-11,15-16,26H,1,4-5,9,12H2/t16-/m1/s1
InChIKeyFFLWWAVVHVBCBD-MRXNPFEDSA-N
MW379.38 g/mol
LogP3.15
Rot. Bonds6

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

N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162379797) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID162379797
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)nc1)N(C[C@@H](O)c1cccnc1)C1CCC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)17-7-6-13(10-24-17)9-18(27)25(15-4-1-5-15)12-16(26)14-3-2-8-23-11-14/h2-3,6-8,10-11,15-16,26H,1,4-5,9,12H2/t16-/m1/s1
InChIKeyFFLWWAVVHVBCBD-MRXNPFEDSA-N
XLogP3.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162379797) is N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(C(F)(F)F)nc1)N(C[C@@H](O)c1cccnc1)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is FFLWWAVVHVBCBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)17-7-6-13(10-24-17)9-18(27)25(15-4-1-5-15)12-16(26)14-3-2-8-23-11-14/h2-3,6-8,10-11,15-16,26H,1,4-5,9,12H2/t16-/m1/s1.
What are the key properties of N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162379797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).