N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C24H20FN5O — CID 146282327

IUPACN-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3ccccc3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C24H20FN5O/c25-19-10-4-5-12-21(19)30-22(16-8-2-1-3-9-16)28-29-23(30)17-14-18(15-17)27-24(31)20-11-6-7-13-26-20/h1-13,17-18H,14-15H2,(H,27,31)
InChIKeyJTHVIRCESUQGGW-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.14
Rot. Bonds5

About N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282327) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID146282327
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC NameN-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3ccccc3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C24H20FN5O/c25-19-10-4-5-12-21(19)30-22(16-8-2-1-3-9-16)28-29-23(30)17-14-18(15-17)27-24(31)20-11-6-7-13-26-20/h1-13,17-18H,14-15H2,(H,27,31)
InChIKeyJTHVIRCESUQGGW-UHFFFAOYSA-N
XLogP4.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]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

3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
Takeda103A
CID 11155477
N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
GS-444217
CID 57504987
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146277109
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146277122
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146277125
N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146282333
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
2-[(1S)-1-[[6-amino-5-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134157628
2-Fluoro-N-{4-[2-(4-methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-phenyl}-benzamide
CID 1439383

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282327) is N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is O=C(NC1CC(c2nnc(-c3ccccc3)n2-c2ccccc2F)C1)c1ccccn1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is JTHVIRCESUQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c25-19-10-4-5-12-21(19)30-22(16-8-2-1-3-9-16)28-29-23(30)17-14-18(15-17)27-24(31)20-11-6-7-13-26-20/h1-13,17-18H,14-15H2,(H,27,31).
What are the key properties of N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).