2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3O — CID 103990691

IUPAC2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCCC1CCCCO1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)12-5-4-10(9-18)13(20-12)19-7-6-11-3-1-2-8-21-11/h4-5,11H,1-3,6-8H2,(H,19,20)
InChIKeyAPAAZIIUFGTPTQ-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.34
Rot. Bonds4

About 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 103990691) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID103990691
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCCC1CCCCO1
InChIInChI=1S/C14H16F3N3O/c15-14(16,17)12-5-4-10(9-18)13(20-12)19-7-6-11-3-1-2-8-21-11/h4-5,11H,1-3,6-8H2,(H,19,20)
InChIKeyAPAAZIIUFGTPTQ-UHFFFAOYSA-N
XLogP3.34
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 103990691) is 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCCC1CCCCO1.
What is the InChIKey of 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is APAAZIIUFGTPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-14(16,17)12-5-4-10(9-18)13(20-12)19-7-6-11-3-1-2-8-21-11/h4-5,11H,1-3,6-8H2,(H,19,20).
What are the key properties of 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 299.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 103990691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).