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

C14H8ClF2N5O — CID 154751807

IUPACN-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(F)cc(Cl)cc1F)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H8ClF2N5O/c15-9-4-10(16)13(11(17)5-9)21-14(23)8-1-2-19-12(3-8)22-7-18-6-20-22/h1-7H,(H,21,23)
InChIKeyKWIXOZBTGZHNQK-UHFFFAOYSA-N
MW335.70 g/mol
LogP2.85
Rot. Bonds3

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

N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 154751807) has the molecular formula C14H8ClF2N5O and a molecular weight of 335.70 g/mol. Its IUPAC name is N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID154751807
Molecular FormulaC14H8ClF2N5O
Molecular Weight335.70 g/mol
Exact Mass335.04
IUPAC NameN-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1c(F)cc(Cl)cc1F)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H8ClF2N5O/c15-9-4-10(16)13(11(17)5-9)21-14(23)8-1-2-19-12(3-8)22-7-18-6-20-22/h1-7H,(H,21,23)
InChIKeyKWIXOZBTGZHNQK-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-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

2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525924
N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 71854091
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929
N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525884
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525778
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 154751807) is N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(Nc1c(F)cc(Cl)cc1F)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is KWIXOZBTGZHNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N5O/c15-9-4-10(16)13(11(17)5-9)21-14(23)8-1-2-19-12(3-8)22-7-18-6-20-22/h1-7H,(H,21,23).
What are the key properties of N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 335.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 154751807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).