3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile

C15H19F3N4 — CID 164639772

IUPAC3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile
SMILESC[C@H](Nc1cccnc1C#N)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N4/c1-11(21-13-3-2-6-20-14(13)9-19)12-4-7-22(8-5-12)10-15(16,17)18/h2-3,6,11-12,21H,4-5,7-8,10H2,1H3/t11-/m0/s1
InChIKeyAHHCNGSDZAOQTG-NSHDSACASA-N
MW312.34 g/mol
LogP3.03
Rot. Bonds4

About 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile

3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile (PubChem CID 164639772) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile
PubChem CID164639772
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile
SMILESC[C@H](Nc1cccnc1C#N)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N4/c1-11(21-13-3-2-6-20-14(13)9-19)12-4-7-22(8-5-12)10-15(16,17)18/h2-3,6,11-12,21H,4-5,7-8,10H2,1H3/t11-/m0/s1
InChIKeyAHHCNGSDZAOQTG-NSHDSACASA-N
XLogP3.03
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-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 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile (CID 164639772) is 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile is C[C@H](Nc1cccnc1C#N)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile?
The InChIKey is AHHCNGSDZAOQTG-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N4/c1-11(21-13-3-2-6-20-14(13)9-19)12-4-7-22(8-5-12)10-15(16,17)18/h2-3,6,11-12,21H,4-5,7-8,10H2,1H3/t11-/m0/s1.
What are the key properties of 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile?
3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile has a molecular weight of 312.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 164639772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).