3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile

C14H11F3N4 — CID 102718398

IUPAC3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H11F3N4/c1-21(11-4-2-3-9(5-11)8-18)13-7-10(14(15,16)17)6-12(19)20-13/h2-7H,1H3,(H2,19,20)
InChIKeyZOUBAPARFDMPQF-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.32
Rot. Bonds2

About 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile (PubChem CID 102718398) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
PubChem CID102718398
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H11F3N4/c1-21(11-4-2-3-9(5-11)8-18)13-7-10(14(15,16)17)6-12(19)20-13/h2-7H,1H3,(H2,19,20)
InChIKeyZOUBAPARFDMPQF-UHFFFAOYSA-N
XLogP3.32
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile?
The IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile (CID 102718398) is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile.
What is the SMILES notation for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile?
The canonical SMILES for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile is CN(c1cccc(C#N)c1)c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile?
The InChIKey is ZOUBAPARFDMPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-21(11-4-2-3-9(5-11)8-18)13-7-10(14(15,16)17)6-12(19)20-13/h2-7H,1H3,(H2,19,20).
What are the key properties of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile?
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile is sourced from PubChem (CID 102718398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).