4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide

C13H17F3N2O — CID 91837939

IUPAC4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
SMILESCc1cccc(CC(C)NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C13H17F3N2O/c1-9-4-3-5-11(17-9)8-10(2)18-12(19)6-7-13(14,15)16/h3-5,10H,6-8H2,1-2H3,(H,18,19)
InChIKeyVITFMGRIYIZYRI-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.78
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide

4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide (PubChem CID 91837939) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
PubChem CID91837939
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
SMILESCc1cccc(CC(C)NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C13H17F3N2O/c1-9-4-3-5-11(17-9)8-10(2)18-12(19)6-7-13(14,15)16/h3-5,10H,6-8H2,1-2H3,(H,18,19)
InChIKeyVITFMGRIYIZYRI-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 126437741
3-(methanesulfonamido)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 125171127
N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 124753193
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 125168245
N-methyl-1-(6-methyl-2-pyridinyl)propan-2-amine
CID 16640577
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 125164936
3-methoxy-5-[[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126431758
1,6-dimethyl-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-4-oxopyridine-2-carboxamide
CID 125161516
1-[(1-hydroxycyclohexyl)methyl]-3-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]urea
CID 126443757
4-(ethylsulfonylamino)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 125160684
5-(methoxymethyl)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 124751971
4,4,4-trifluoro-N-(4-hydroxybutan-2-yl)butanamide
CID 115283442

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide (CID 91837939) is 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide is Cc1cccc(CC(C)NC(=O)CCC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide?
The InChIKey is VITFMGRIYIZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9-4-3-5-11(17-9)8-10(2)18-12(19)6-7-13(14,15)16/h3-5,10H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide?
4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide has a molecular weight of 274.29 g/mol, XLogP of 2.78, 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-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide is sourced from PubChem (CID 91837939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).