6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile

C19H24F3N3O — CID 78097484

IUPAC6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile
SMILESCc1cc(OCCC2CC2C2CCN(CC(F)(F)F)CC2)cc(C#N)n1
InChIInChI=1S/C19H24F3N3O/c1-13-8-17(10-16(11-23)24-13)26-7-4-15-9-18(15)14-2-5-25(6-3-14)12-19(20,21)22/h8,10,14-15,18H,2-7,9,12H2,1H3
InChIKeyQDCYIHAZUOAGQP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.94
Rot. Bonds6

About 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile

6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile (PubChem CID 78097484) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile
PubChem CID78097484
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile
SMILESCc1cc(OCCC2CC2C2CCN(CC(F)(F)F)CC2)cc(C#N)n1
InChIInChI=1S/C19H24F3N3O/c1-13-8-17(10-16(11-23)24-13)26-7-4-15-9-18(15)14-2-5-25(6-3-14)12-19(20,21)22/h8,10,14-15,18H,2-7,9,12H2,1H3
InChIKeyQDCYIHAZUOAGQP-UHFFFAOYSA-N
XLogP3.94
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile (CID 78097484) is 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile is Cc1cc(OCCC2CC2C2CCN(CC(F)(F)F)CC2)cc(C#N)n1.
What is the InChIKey of 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile?
The InChIKey is QDCYIHAZUOAGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-13-8-17(10-16(11-23)24-13)26-7-4-15-9-18(15)14-2-5-25(6-3-14)12-19(20,21)22/h8,10,14-15,18H,2-7,9,12H2,1H3.
What are the key properties of 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile?
6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile has a molecular weight of 367.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropyl]ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 78097484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).