2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H15F3N4 — CID 107489607

IUPAC2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCCC1=CCNCC1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-2-1-11(9-18)13(21-12)20-8-5-10-3-6-19-7-4-10/h1-3,19H,4-8H2,(H,20,21)
InChIKeyTVIGKOZUMYZVBY-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.69
Rot. Bonds4

About 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 107489607) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID107489607
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCCC1=CCNCC1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-2-1-11(9-18)13(21-12)20-8-5-10-3-6-19-7-4-10/h1-3,19H,4-8H2,(H,20,21)
InChIKeyTVIGKOZUMYZVBY-UHFFFAOYSA-N
XLogP2.69
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carbonitrile
CID 107488727
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 107488975
2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133415320
3-nitro-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-4-carbonitrile
CID 107488895
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutanoic acid
CID 80539504

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 107489607) is 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCCC1=CCNCC1.
What is the InChIKey of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is TVIGKOZUMYZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)12-2-1-11(9-18)13(21-12)20-8-5-10-3-6-19-7-4-10/h1-3,19H,4-8H2,(H,20,21).
What are the key properties of 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 296.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 107489607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).