3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide

C17H18F3N3O2 — CID 14769944

IUPAC3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1c(OCC(F)(F)F)cccc1-c1ccccn1
InChIInChI=1S/C17H18F3N3O2/c1-11(21)9-15(24)23-16-12(13-6-2-3-8-22-13)5-4-7-14(16)25-10-17(18,19)20/h2-8,11H,9-10,21H2,1H3,(H,23,24)
InChIKeyMFQYXFDULSIFFG-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.37
Rot. Bonds6

About 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide

3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 14769944) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID14769944
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1c(OCC(F)(F)F)cccc1-c1ccccn1
InChIInChI=1S/C17H18F3N3O2/c1-11(21)9-15(24)23-16-12(13-6-2-3-8-22-13)5-4-7-14(16)25-10-17(18,19)20/h2-8,11H,9-10,21H2,1H3,(H,23,24)
InChIKeyMFQYXFDULSIFFG-UHFFFAOYSA-N
XLogP3.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 14769944) is 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide is CC(N)CC(=O)Nc1c(OCC(F)(F)F)cccc1-c1ccccn1.
What is the InChIKey of 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is MFQYXFDULSIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11(21)9-15(24)23-16-12(13-6-2-3-8-22-13)5-4-7-14(16)25-10-17(18,19)20/h2-8,11H,9-10,21H2,1H3,(H,23,24).
What are the key properties of 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide?
3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 353.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 14769944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).