2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C12H16F3N3O — CID 71906399

IUPAC2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(c1cccnc1)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-9(10-4-3-5-16-6-10)18(2)7-11(19)17-8-12(13,14)15/h3-6,9H,7-8H2,1-2H3,(H,17,19)
InChIKeyNXYNGGOHEFGVJN-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.75
Rot. Bonds5

About 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71906399) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71906399
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(c1cccnc1)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-9(10-4-3-5-16-6-10)18(2)7-11(19)17-8-12(13,14)15/h3-6,9H,7-8H2,1-2H3,(H,17,19)
InChIKeyNXYNGGOHEFGVJN-UHFFFAOYSA-N
XLogP1.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97328796
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
CID 118783705
methyl 3-[[methyl-[(1R)-1-pyridin-3-ylethyl]amino]methyl]furan-2-carboxylate
CID 97328786
N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 60597744
[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid
CID 142100270

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 71906399) is 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(c1cccnc1)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NXYNGGOHEFGVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-9(10-4-3-5-16-6-10)18(2)7-11(19)17-8-12(13,14)15/h3-6,9H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71906399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).