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

C11H14F3N3O2 — CID 62669799

IUPAC3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
SMILESCC(CN)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3O2/c1-7(4-15)10(18)17-8-2-3-9(16-5-8)19-6-11(12,13)14/h2-3,5,7H,4,6,15H2,1H3,(H,17,18)
InChIKeyOZFJYVLRVJGPKP-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.56
Rot. Bonds5

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

3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide (PubChem CID 62669799) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
PubChem CID62669799
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
SMILESCC(CN)C(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H14F3N3O2/c1-7(4-15)10(18)17-8-2-3-9(16-5-8)19-6-11(12,13)14/h2-3,5,7H,4,6,15H2,1H3,(H,17,18)
InChIKeyOZFJYVLRVJGPKP-UHFFFAOYSA-N
XLogP1.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
2-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanediamide;dihydrochloride
CID 119957958
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
(2R)-N-(methylcarbamoyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]propanamide
CID 94641374
N-[3-methyl-1-oxo-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]butan-2-yl]furan-2-carboxamide
CID 46478211
3-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807354
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide (CID 62669799) is 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide is CC(CN)C(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
The InChIKey is OZFJYVLRVJGPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7(4-15)10(18)17-8-2-3-9(16-5-8)19-6-11(12,13)14/h2-3,5,7H,4,6,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide?
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide has a molecular weight of 277.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 62669799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).