N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide

C12H7FN4O — CID 104535200

IUPACN-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(F)n2)nc1
InChIInChI=1S/C12H7FN4O/c13-10-3-1-2-9(16-10)12(18)17-11-5-4-8(6-14)7-15-11/h1-5,7H,(H,15,17,18)
InChIKeyZHGYNXQNPJXRAU-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.74
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide

N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide (PubChem CID 104535200) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
PubChem CID104535200
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC NameN-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccc(F)n2)nc1
InChIInChI=1S/C12H7FN4O/c13-10-3-1-2-9(16-10)12(18)17-11-5-4-8(6-14)7-15-11/h1-5,7H,(H,15,17,18)
InChIKeyZHGYNXQNPJXRAU-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-cyano-2-pyridinyl)-6-fluoropyridine-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

N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide (CID 104535200) is N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2cccc(F)n2)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is ZHGYNXQNPJXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-10-3-1-2-9(16-10)12(18)17-11-5-4-8(6-14)7-15-11/h1-5,7H,(H,15,17,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide?
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 242.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104535200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).