3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide

C17H18F3N3O2 — CID 56738760

IUPAC3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-11(21)8-15(24)23-10-12-4-3-7-22-16(12)25-14-6-2-5-13(9-14)17(18,19)20/h2-7,9,11H,8,10,21H2,1H3,(H,23,24)
InChIKeyHFAGNEXIVQWNTG-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.25
Rot. Bonds6

About 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide

3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide (PubChem CID 56738760) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
PubChem CID56738760
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O2/c1-11(21)8-15(24)23-10-12-4-3-7-22-16(12)25-14-6-2-5-13(9-14)17(18,19)20/h2-7,9,11H,8,10,21H2,1H3,(H,23,24)
InChIKeyHFAGNEXIVQWNTG-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
3-(1H-pyrazol-4-yl)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 42519424
3-morpholin-4-yl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 25289476
1-cyano-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 56748506
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685
(2S,4R)-4-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 56751667
(2S)-2-amino-N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119892776

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide (CID 56738760) is 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide is CC(N)CC(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
The InChIKey is HFAGNEXIVQWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11(21)8-15(24)23-10-12-4-3-7-22-16(12)25-14-6-2-5-13(9-14)17(18,19)20/h2-7,9,11H,8,10,21H2,1H3,(H,23,24).
What are the key properties of 3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide?
3-amino-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide has a molecular weight of 353.34 g/mol, XLogP of 3.25, 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-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 56738760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).