2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

C12H16F3N3O — CID 115571278

IUPAC2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ccccn1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-9(11(19)18-8-12(13,14)15)16-7-5-10-4-2-3-6-17-10/h2-4,6,9,16H,5,7-8H2,1H3,(H,18,19)
InChIKeyRVJRYBGGPKVCRY-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.28
Rot. Bonds6

About 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571278) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571278
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ccccn1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-9(11(19)18-8-12(13,14)15)16-7-5-10-4-2-3-6-17-10/h2-4,6,9,16H,5,7-8H2,1H3,(H,18,19)
InChIKeyRVJRYBGGPKVCRY-UHFFFAOYSA-N
XLogP1.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
2-(6-Chloro-3-((2,2-difluoro-2-(2-pyridinyl)ethyl)amino)-2-oxo-1(2H)-pyrazinyl)-N-((2-fluoro-6-pyridinyl)methyl)acetamide
CID 447219
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4787986
2-Methyl-1-phenylcarbamoylmethyl-pyridinium
CID 24746771
(2Z)-N-[2-(diethylamino)ethyl]-2-(hydroxyimino)-2-(pyridin-2-yl)ethanamide
CID 135455169
2-cyclohexyl-N-(pyridin-2-ylmethyl)acetamide
CID 806688
(S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-3-methyl-N-(2-(pyridin-2-yl)ethyl)butanamide
CID 44418232

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115571278) is 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCc1ccccn1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is RVJRYBGGPKVCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-9(11(19)18-8-12(13,14)15)16-7-5-10-4-2-3-6-17-10/h2-4,6,9,16H,5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).