3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile

C16H15F3N6 — CID 133283191

IUPAC3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)11-1-2-14(23-10-11)25-7-3-12(4-8-25)24-15-13(9-20)21-5-6-22-15/h1-2,5-6,10,12H,3-4,7-8H2,(H,22,24)
InChIKeyFNGYHMWBNWVYFN-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.84
Rot. Bonds3

About 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile

3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 133283191) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID133283191
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)11-1-2-14(23-10-11)25-7-3-12(4-8-25)24-15-13(9-20)21-5-6-22-15/h1-2,5-6,10,12H,3-4,7-8H2,(H,22,24)
InChIKeyFNGYHMWBNWVYFN-UHFFFAOYSA-N
XLogP2.84
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(4-tert-butylphenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284042
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 97194477
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
5-nitro-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47054080
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155973955
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile (CID 133283191) is 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1nccnc1NC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is FNGYHMWBNWVYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-16(18,19)11-1-2-14(23-10-11)25-7-3-12(4-8-25)24-15-13(9-20)21-5-6-22-15/h1-2,5-6,10,12H,3-4,7-8H2,(H,22,24).
What are the key properties of 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile?
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 348.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).