N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide

C11H14F3N3O — CID 113238508

IUPACN-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(C(=O)CNCC(F)(F)F)c1ccncc1
InChIInChI=1S/C11H14F3N3O/c1-2-17(9-3-5-15-6-4-9)10(18)7-16-8-11(12,13)14/h3-6,16H,2,7-8H2,1H3
InChIKeyMTJORPIZEYQBAT-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide

N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113238508) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113238508
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(C(=O)CNCC(F)(F)F)c1ccncc1
InChIInChI=1S/C11H14F3N3O/c1-2-17(9-3-5-15-6-4-9)10(18)7-16-8-11(12,13)14/h3-6,16H,2,7-8H2,1H3
InChIKeyMTJORPIZEYQBAT-UHFFFAOYSA-N
XLogP1.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260660
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide
CID 106935438
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
(3R)-N-ethyl-5-oxo-N-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 129370499
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide (CID 113238508) is N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide is CCN(C(=O)CNCC(F)(F)F)c1ccncc1.
What is the InChIKey of N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MTJORPIZEYQBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-2-17(9-3-5-15-6-4-9)10(18)7-16-8-11(12,13)14/h3-6,16H,2,7-8H2,1H3.
What are the key properties of N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide?
N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113238508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).