2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H16F3N3O2 — CID 79875911

IUPAC2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)C1(O)CN(c2nc(C(F)(F)F)ccc2C(N)=O)C1
InChIInChI=1S/C13H16F3N3O2/c1-7(2)12(21)5-19(6-12)11-8(10(17)20)3-4-9(18-11)13(14,15)16/h3-4,7,21H,5-6H2,1-2H3,(H2,17,20)
InChIKeyDLURXTBIZHISIC-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.41
Rot. Bonds3

About 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875911) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875911
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)C1(O)CN(c2nc(C(F)(F)F)ccc2C(N)=O)C1
InChIInChI=1S/C13H16F3N3O2/c1-7(2)12(21)5-19(6-12)11-8(10(17)20)3-4-9(18-11)13(14,15)16/h3-4,7,21H,5-6H2,1-2H3,(H2,17,20)
InChIKeyDLURXTBIZHISIC-UHFFFAOYSA-N
XLogP1.41
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875911) is 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)C1(O)CN(c2nc(C(F)(F)F)ccc2C(N)=O)C1.
What is the InChIKey of 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DLURXTBIZHISIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-7(2)12(21)5-19(6-12)11-8(10(17)20)3-4-9(18-11)13(14,15)16/h3-4,7,21H,5-6H2,1-2H3,(H2,17,20).
What are the key properties of 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).