N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide

C17H13F5N2O — CID 123867173

IUPACN-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC1c1ccc(F)cc1F)c1cccnc1C(F)(F)F
InChIInChI=1S/C17H13F5N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25)
InChIKeyNHXBODBEXVBPRF-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.05
Rot. Bonds3

About N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 123867173) has the molecular formula C17H13F5N2O and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID123867173
Molecular FormulaC17H13F5N2O
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC NameN-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC1c1ccc(F)cc1F)c1cccnc1C(F)(F)F
InChIInChI=1S/C17H13F5N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25)
InChIKeyNHXBODBEXVBPRF-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 123867173) is N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC1c1ccc(F)cc1F)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NHXBODBEXVBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25).
What are the key properties of N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 356.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123867173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).