2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C12H14F3N3O2 — CID 79285571

IUPAC2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESC=CCNCC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H14F3N3O2/c1-2-5-16-7-10(19)18-9-3-4-11(17-6-9)20-8-12(13,14)15/h2-4,6,16H,1,5,7-8H2,(H,18,19)
InChIKeyGJHRPLAGYDWFIW-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.74
Rot. Bonds7

About 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 79285571) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID79285571
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESC=CCNCC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H14F3N3O2/c1-2-5-16-7-10(19)18-9-3-4-11(17-6-9)20-8-12(13,14)15/h2-4,6,16H,1,5,7-8H2,(H,18,19)
InChIKeyGJHRPLAGYDWFIW-UHFFFAOYSA-N
XLogP1.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 86990066
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
CID 89185244
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 79285864
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51320683
2-[2,6-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]phenoxy]acetic acid
CID 120549355

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 79285571) is 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is C=CCNCC(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is GJHRPLAGYDWFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-2-5-16-7-10(19)18-9-3-4-11(17-6-9)20-8-12(13,14)15/h2-4,6,16H,1,5,7-8H2,(H,18,19).
What are the key properties of 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 289.26 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 79285571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).