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

C13H7F3N4O — CID 167983417

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(6-cyano-3-pyridinyl)pyridine-2-carboxamide
CID 170719912
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
6-(5-cyanoimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 166481443
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
N-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 58337690
6-(trifluoromethyl)pyridine-2-carbonyl fluoride
CID 174756442
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 175755920
N-(4-cyanophenyl)-N'-(6-cyano-3-pyridinyl)propanediamide
CID 138582546
3-[(6-cyano-3-pyridinyl)amino]benzoic acid
CID 113320464
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676

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).