2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile

C13H16F3N3 — CID 81061241

IUPAC2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(N(CC(F)(F)F)C(C)C)c(C#N)c(C)n1
InChIInChI=1S/C13H16F3N3/c1-8(2)19(7-13(14,15)16)12-5-9(3)18-10(4)11(12)6-17/h5,8H,7H2,1-4H3
InChIKeyNQGTZWBBHZQIMP-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.35
Rot. Bonds3

About 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile

2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile (PubChem CID 81061241) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
PubChem CID81061241
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile
SMILESCc1cc(N(CC(F)(F)F)C(C)C)c(C#N)c(C)n1
InChIInChI=1S/C13H16F3N3/c1-8(2)19(7-13(14,15)16)12-5-9(3)18-10(4)11(12)6-17/h5,8H,7H2,1-4H3
InChIKeyNQGTZWBBHZQIMP-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62302137
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[2-cyanopropyl(ethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060184
3-(chloromethyl)-4,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55009185
4-[(3-amino-2,2-dimethylpropyl)-propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051803
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
4-[(3,4-difluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396641
4-[2-[di(propan-2-yl)amino]ethoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 115505514
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile (CID 81061241) is 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile is Cc1cc(N(CC(F)(F)F)C(C)C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
The InChIKey is NQGTZWBBHZQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-8(2)19(7-13(14,15)16)12-5-9(3)18-10(4)11(12)6-17/h5,8H,7H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 81061241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).