2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3 — CID 78966966

IUPAC2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(CC1CC1)Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C14H16F3N3/c1-2-11(7-9-3-4-9)19-13-10(8-18)5-6-12(20-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3,(H,19,20)
InChIKeyIILUTKLLJOFHMA-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.96
Rot. Bonds5

About 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966966) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966966
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(CC1CC1)Nc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C14H16F3N3/c1-2-11(7-9-3-4-9)19-13-10(8-18)5-6-12(20-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3,(H,19,20)
InChIKeyIILUTKLLJOFHMA-UHFFFAOYSA-N
XLogP3.96
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966966) is 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CCC(CC1CC1)Nc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IILUTKLLJOFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-2-11(7-9-3-4-9)19-13-10(8-18)5-6-12(20-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3,(H,19,20).
What are the key properties of 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 283.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).