2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C19H19F3N4 — CID 133439735

IUPAC2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1N1CCCCC1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)17-9-8-14(12-23)18(25-17)24-13-15-6-2-3-7-16(15)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-11,13H2,(H,24,25)
InChIKeyALYJRESWMHSWRZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.57
Rot. Bonds4

About 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133439735) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133439735
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1N1CCCCC1
InChIInChI=1S/C19H19F3N4/c20-19(21,22)17-9-8-14(12-23)18(25-17)24-13-15-6-2-3-7-16(15)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-11,13H2,(H,24,25)
InChIKeyALYJRESWMHSWRZ-UHFFFAOYSA-N
XLogP4.57
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510
2-[3-(3-oxo-1,4-benzoxazin-4-yl)propylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133330590
2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873588
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965964
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133439735) is 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1N1CCCCC1.
What is the InChIKey of 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ALYJRESWMHSWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c20-19(21,22)17-9-8-14(12-23)18(25-17)24-13-15-6-2-3-7-16(15)26-10-4-1-5-11-26/h2-3,6-9H,1,4-5,10-11,13H2,(H,24,25).
What are the key properties of 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 360.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-1-ylphenyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133439735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).