3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile

C14H11F3N4 — CID 103468304

IUPAC3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccc2C(F)(F)F)ccc1N
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-4-2-1-3-9(10)8-20-13-6-5-11(19)12(7-18)21-13/h1-6H,8,19H2,(H,20,21)
InChIKeyQDMYMISRAAEPDL-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile

3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile (PubChem CID 103468304) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
PubChem CID103468304
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccccc2C(F)(F)F)ccc1N
InChIInChI=1S/C14H11F3N4/c15-14(16,17)10-4-2-1-3-9(10)8-20-13-6-5-11(19)12(7-18)21-13/h1-6H,8,19H2,(H,20,21)
InChIKeyQDMYMISRAAEPDL-UHFFFAOYSA-N
XLogP3.17
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718
6-hydrazinyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80905114
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
2-amino-3-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 104716690
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916
5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 62880770
3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 103469216
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile (CID 103468304) is 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCc2ccccc2C(F)(F)F)ccc1N.
What is the InChIKey of 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is QDMYMISRAAEPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)10-4-2-1-3-9(10)8-20-13-6-5-11(19)12(7-18)21-13/h1-6H,8,19H2,(H,20,21).
What are the key properties of 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile?
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).