6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile

C15H13F3N4 — CID 166248435

IUPAC6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCC(Cc1ccccn1)Nc1cc(C(F)(F)F)cc(C#N)n1
InChIInChI=1S/C15H13F3N4/c1-10(6-12-4-2-3-5-20-12)21-14-8-11(15(16,17)18)7-13(9-19)22-14/h2-5,7-8,10H,6H2,1H3,(H,21,22)
InChIKeyIOXFSEDIYNWOMT-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.41
Rot. Bonds4

About 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile

6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 166248435) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID166248435
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCC(Cc1ccccn1)Nc1cc(C(F)(F)F)cc(C#N)n1
InChIInChI=1S/C15H13F3N4/c1-10(6-12-4-2-3-5-20-12)21-14-8-11(15(16,17)18)7-13(9-19)22-14/h2-5,7-8,10H,6H2,1H3,(H,21,22)
InChIKeyIOXFSEDIYNWOMT-UHFFFAOYSA-N
XLogP3.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol
CID 91784849
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
CID 122394146
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylethyl]hydrazine
CID 102759431
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241

Frequently Asked Questions

What is the IUPAC name of 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 166248435) is 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile is CC(Cc1ccccn1)Nc1cc(C(F)(F)F)cc(C#N)n1.
What is the InChIKey of 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is IOXFSEDIYNWOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c1-10(6-12-4-2-3-5-20-12)21-14-8-11(15(16,17)18)7-13(9-19)22-14/h2-5,7-8,10H,6H2,1H3,(H,21,22).
What are the key properties of 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile?
6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 306.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pyridin-2-ylpropan-2-ylamino)-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 166248435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).