N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

C10H10F3N3O — CID 115737184

IUPACN-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CNC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)6-1-2-8(15-3-6)9(17)16-7-4-14-5-7/h1-3,7,14H,4-5H2,(H,16,17)
InChIKeyDFZZCKPVERIUPD-UHFFFAOYSA-N
MW245.20 g/mol
LogP0.80
Rot. Bonds2

About N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 115737184) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID115737184
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC NameN-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NC1CNC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)6-1-2-8(15-3-6)9(17)16-7-4-14-5-7/h1-3,7,14H,4-5H2,(H,16,17)
InChIKeyDFZZCKPVERIUPD-UHFFFAOYSA-N
XLogP0.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 115737184) is N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NC1CNC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DFZZCKPVERIUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)6-1-2-8(15-3-6)9(17)16-7-4-14-5-7/h1-3,7,14H,4-5H2,(H,16,17).
What are the key properties of N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 245.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115737184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).