(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C12H15F3N2O2 — CID 94204725

IUPAC(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)OCC(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O2/c1-8-3-4-10(5-16-8)6-17-11(18)9(2)19-7-12(13,14)15/h3-5,9H,6-7H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyCWAOEJONVITTKM-VIFPVBQESA-N
MW276.26 g/mol
LogP1.97
Rot. Bonds5

About (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 94204725) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID94204725
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)OCC(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O2/c1-8-3-4-10(5-16-8)6-17-11(18)9(2)19-7-12(13,14)15/h3-5,9H,6-7H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyCWAOEJONVITTKM-VIFPVBQESA-N
XLogP1.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 94204725) is (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is Cc1ccc(CNC(=O)[C@H](C)OCC(F)(F)F)cn1.
What is the InChIKey of (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CWAOEJONVITTKM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8-3-4-10(5-16-8)6-17-11(18)9(2)19-7-12(13,14)15/h3-5,9H,6-7H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 94204725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).