N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide

C13H10F3N3O — CID 2746363

IUPACN-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)11-6-3-5-10(19-11)12(20)18-8-9-4-1-2-7-17-9/h1-7H,8H2,(H,18,20)
InChIKeyGXANXJHMDUQFMF-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.43
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 2746363) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID2746363
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)11-6-3-5-10(19-11)12(20)18-8-9-4-1-2-7-17-9/h1-7H,8H2,(H,18,20)
InChIKeyGXANXJHMDUQFMF-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 2746363) is N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCc1ccccn1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GXANXJHMDUQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)11-6-3-5-10(19-11)12(20)18-8-9-4-1-2-7-17-9/h1-7H,8H2,(H,18,20).
What are the key properties of N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 2746363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).