4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide

C13H17F3N2O — CID 118783705

IUPAC4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
SMILESCC(C)C(NC(=O)CCC(F)(F)F)c1cccnc1
InChIInChI=1S/C13H17F3N2O/c1-9(2)12(10-4-3-7-17-8-10)18-11(19)5-6-13(14,15)16/h3-4,7-9,12H,5-6H2,1-2H3,(H,18,19)
InChIKeyZTPKQILPBWRCAR-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.24
Rot. Bonds5

About 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide

4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide (PubChem CID 118783705) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
PubChem CID118783705
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide
SMILESCC(C)C(NC(=O)CCC(F)(F)F)c1cccnc1
InChIInChI=1S/C13H17F3N2O/c1-9(2)12(10-4-3-7-17-8-10)18-11(19)5-6-13(14,15)16/h3-4,7-9,12H,5-6H2,1-2H3,(H,18,19)
InChIKeyZTPKQILPBWRCAR-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide
CID 125156538
2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-methyl-1-pyridin-3-ylpropyl)acetamide
CID 118782710
N-(2-methyl-1-pyridin-3-ylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118773371
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
CID 125442514
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide (CID 118783705) is 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide is CC(C)C(NC(=O)CCC(F)(F)F)c1cccnc1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide?
The InChIKey is ZTPKQILPBWRCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(2)12(10-4-3-7-17-8-10)18-11(19)5-6-13(14,15)16/h3-4,7-9,12H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide?
4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide has a molecular weight of 274.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methyl-1-pyridin-3-ylpropyl)butanamide is sourced from PubChem (CID 118783705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).