N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C14H9F2N5O — CID 1475775

IUPACN-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H9F2N5O/c15-10-2-3-12(11(16)5-10)20-14(22)9-1-4-13(18-6-9)21-8-17-7-19-21/h1-8H,(H,20,22)
InChIKeyYENJUOVUPPAGQM-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.19
Rot. Bonds3

About N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 1475775) has the molecular formula C14H9F2N5O and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID1475775
Molecular FormulaC14H9F2N5O
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC NameN-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H9F2N5O/c15-10-2-3-12(11(16)5-10)20-14(22)9-1-4-13(18-6-9)21-8-17-7-19-21/h1-8H,(H,20,22)
InChIKeyYENJUOVUPPAGQM-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 1475775) is N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is YENJUOVUPPAGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O/c15-10-2-3-12(11(16)5-10)20-14(22)9-1-4-13(18-6-9)21-8-17-7-19-21/h1-8H,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 301.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1475775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).