N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide

C21H25F3N2O — CID 71860186

IUPACN-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCC(c1cccnc1)C(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H25F3N2O/c1-14(2)18(16-7-6-10-25-12-16)13-26-20(27)11-15(3)17-8-4-5-9-19(17)21(22,23)24/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,26,27)
InChIKeyRBIXPHGXCOPVOV-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.15
Rot. Bonds7

About N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide

N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 71860186) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID71860186
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCC(c1cccnc1)C(C)C)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H25F3N2O/c1-14(2)18(16-7-6-10-25-12-16)13-26-20(27)11-15(3)17-8-4-5-9-19(17)21(22,23)24/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,26,27)
InChIKeyRBIXPHGXCOPVOV-UHFFFAOYSA-N
XLogP5.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221373
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 80522600
2-[2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]ethylsulfanyl]acetic acid
CID 119242380
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119571655
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
CID 95974684

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide (CID 71860186) is N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NCC(c1cccnc1)C(C)C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is RBIXPHGXCOPVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-14(2)18(16-7-6-10-25-12-16)13-26-20(27)11-15(3)17-8-4-5-9-19(17)21(22,23)24/h4-10,12,14-15,18H,11,13H2,1-3H3,(H,26,27).
What are the key properties of N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide?
N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 378.44 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 71860186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).