6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide

C13H18F3N3O2 — CID 43700692

IUPAC6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
SMILESNCCCCCC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)9-21-12-6-5-10(8-18-12)19-11(20)4-2-1-3-7-17/h5-6,8H,1-4,7,9,17H2,(H,19,20)
InChIKeyWSZLBJLAOWKQFB-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.48
Rot. Bonds8

About 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide

6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide (PubChem CID 43700692) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
PubChem CID43700692
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
SMILESNCCCCCC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)9-21-12-6-5-10(8-18-12)19-11(20)4-2-1-3-7-17/h5-6,8H,1-4,7,9,17H2,(H,19,20)
InChIKeyWSZLBJLAOWKQFB-UHFFFAOYSA-N
XLogP2.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
CID 89185244
2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
3-[(2S)-oxolan-2-yl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 94118334
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
CID 119785431
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 86990066
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
4-(7-aminoheptanoylamino)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726154

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide?
The IUPAC name of 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide (CID 43700692) is 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide.
What is the SMILES notation for 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide?
The canonical SMILES for 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide is NCCCCCC(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide?
The InChIKey is WSZLBJLAOWKQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)9-21-12-6-5-10(8-18-12)19-11(20)4-2-1-3-7-17/h5-6,8H,1-4,7,9,17H2,(H,19,20).
What are the key properties of 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide?
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide has a molecular weight of 305.30 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide is sourced from PubChem (CID 43700692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).