N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide

C11H14F3N3O — CID 114072648

IUPACN-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(F)c(F)cc1F
InChIInChI=1S/C11H14F3N3O/c1-11(2,3)17-8(18)5-15-10-7(13)4-6(12)9(14)16-10/h4H,5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGOSQYSXRIFXZPD-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.83
Rot. Bonds3

About N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide

N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide (PubChem CID 114072648) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide
PubChem CID114072648
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(F)c(F)cc1F
InChIInChI=1S/C11H14F3N3O/c1-11(2,3)17-8(18)5-15-10-7(13)4-6(12)9(14)16-10/h4H,5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGOSQYSXRIFXZPD-UHFFFAOYSA-N
XLogP1.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide
CID 114072681
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
N-tert-butyl-2-(phthalazin-1-ylamino)acetamide
CID 78911728
N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 113293280
N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 115356881
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
CID 106549887
2-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]acetamide
CID 114074035
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide (CID 114072648) is N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc(F)c(F)cc1F.
What is the InChIKey of N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide?
The InChIKey is GOSQYSXRIFXZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-11(2,3)17-8(18)5-15-10-7(13)4-6(12)9(14)16-10/h4H,5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide?
N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5,6-trifluoro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 114072648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).