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N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide

C13H7F3N4O — CID 167983417

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C13H7F3N4O/c14-13(15,16)11-3-1-2-10(20-11)12(21)19-9-5-4-8(6-17)18-7-9/h1-5,7H,(H,19,21)
InChIKeyCPSBAJSQUAULCQ-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.62
Rot. Bonds2

About N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167983417) has the molecular formula C13H7F3N4O and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167983417
Molecular FormulaC13H7F3N4O
Molecular Weight292.22 g/mol
Exact Mass292.06
IUPAC NameN-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C13H7F3N4O/c14-13(15,16)11-3-1-2-10(20-11)12(21)19-9-5-4-8(6-17)18-7-9/h1-5,7H,(H,19,21)
InChIKeyCPSBAJSQUAULCQ-UHFFFAOYSA-N
XLogP2.62
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167983417) is N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CPSBAJSQUAULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O/c14-13(15,16)11-3-1-2-10(20-11)12(21)19-9-5-4-8(6-17)18-7-9/h1-5,7H,(H,19,21).
What are the key properties of N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 292.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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