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

C21H17FN6OS — CID 146282390

IUPACN-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C21H17FN6OS/c22-15-5-1-2-7-17(15)28-18(26-27-19(28)21-24-9-10-30-21)13-11-14(12-13)25-20(29)16-6-3-4-8-23-16/h1-10,13-14H,11-12H2,(H,25,29)
InChIKeyLXDLBFDPJLZORZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.60
Rot. Bonds5

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

N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282390) has the molecular formula C21H17FN6OS and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID146282390
Molecular FormulaC21H17FN6OS
Molecular Weight420.47 g/mol
Exact Mass420.12
IUPAC NameN-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C21H17FN6OS/c22-15-5-1-2-7-17(15)28-18(26-27-19(28)21-24-9-10-30-21)13-11-14(12-13)25-20(29)16-6-3-4-8-23-16/h1-10,13-14H,11-12H2,(H,25,29)
InChIKeyLXDLBFDPJLZORZ-UHFFFAOYSA-N
XLogP3.60
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 10411846
N-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide
CID 2545997
6-(4H-1,2,4-triazol-3-ylthio)-3-(4-fluorophenylthio)-N-(thiazol-2-yl)picolinamide
CID 10342654
6-(4H-1,2,4-triazol-3-ylthio)-3-(2-fluorophenylthio)-N-(thiazol-2-yl)picolinamide
CID 10432843
6-(4H-1,2,4-triazol-3-ylthio)-3-(3-fluorophenylthio)-N-(thiazol-2-yl)picolinamide
CID 10455369
3-(4-fluorophenylthio)-6-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)picolinamide
CID 45273147
5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146277089
N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146282147
N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282316
N-[3-[4-(2-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282327
N-[3-[4-(2-fluorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282454
5-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282499

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282390) is N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is O=C(NC1CC(c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccccn1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is LXDLBFDPJLZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6OS/c22-15-5-1-2-7-17(15)28-18(26-27-19(28)21-24-9-10-30-21)13-11-14(12-13)25-20(29)16-6-3-4-8-23-16/h1-10,13-14H,11-12H2,(H,25,29).
What are the key properties of N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).