3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide

C12H16F3N3O — CID 82817087

IUPAC3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O/c1-2-3-8(16)6-11(19)18-9-4-5-10(17-7-9)12(13,14)15/h4-5,7-8H,2-3,6,16H2,1H3,(H,18,19)
InChIKeyQQGLLDQGRSZFMP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide

3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide (PubChem CID 82817087) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
PubChem CID82817087
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H16F3N3O/c1-2-3-8(16)6-11(19)18-9-4-5-10(17-7-9)12(13,14)15/h4-5,7-8H,2-3,6,16H2,1H3,(H,18,19)
InChIKeyQQGLLDQGRSZFMP-UHFFFAOYSA-N
XLogP2.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-N-[6-(trifluoromethyl)-3-pyridinyl]pentanamide
CID 82817487
ethyl 4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoate
CID 82706361
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
(2R)-2-amino-4-methylsulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 104908933
3-amino-N-[4-(methoxymethyl)phenyl]hexanamide
CID 114253146
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82810971
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
CID 113427832
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
(2S)-2-amino-2-phenyl-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 104898299
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 124652117

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide?
The IUPAC name of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide (CID 82817087) is 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide.
What is the SMILES notation for 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide?
The canonical SMILES for 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide is CCCC(N)CC(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide?
The InChIKey is QQGLLDQGRSZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-3-8(16)6-11(19)18-9-4-5-10(17-7-9)12(13,14)15/h4-5,7-8H,2-3,6,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide?
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide has a molecular weight of 275.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide is sourced from PubChem (CID 82817087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).