N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide

C14H13F3N4 — CID 162537688

IUPACN'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide
SMILESNC(=NC(Nc1ccccn1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)13(20-11-8-4-5-9-19-11)21-12(18)10-6-2-1-3-7-10/h1-9,13H,(H2,18,21)(H,19,20)
InChIKeyCZUJBSDXQJJVJW-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.79
Rot. Bonds4

About N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide

N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide (PubChem CID 162537688) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide
PubChem CID162537688
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC NameN'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide
SMILESNC(=NC(Nc1ccccn1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)13(20-11-8-4-5-9-19-11)21-12(18)10-6-2-1-3-7-10/h1-9,13H,(H2,18,21)(H,19,20)
InChIKeyCZUJBSDXQJJVJW-UHFFFAOYSA-N
XLogP2.79
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-1,1,1,4,4,4-hexafluorobutan-2-yl)benzenecarboximidamide
CID 174360754
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280
N'-pyridin-2-yl-4-(trifluoromethyl)benzenecarboximidamide
CID 175066088
1-(pyridin-2-ylamino)ethanol
CID 20521375
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
N'-(pyridin-2-ylamino)pyridine-2-carboximidamide
CID 139161473
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915

Frequently Asked Questions

What is the IUPAC name of N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide (CID 162537688) is N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide is NC(=NC(Nc1ccccn1)C(F)(F)F)c1ccccc1.
What is the InChIKey of N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide?
The InChIKey is CZUJBSDXQJJVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)13(20-11-8-4-5-9-19-11)21-12(18)10-6-2-1-3-7-10/h1-9,13H,(H2,18,21)(H,19,20).
What are the key properties of N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide?
N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide has a molecular weight of 294.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,2,2-trifluoro-1-(pyridin-2-ylamino)ethyl]benzenecarboximidamide is sourced from PubChem (CID 162537688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).