N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H15FN4O2 — CID 134797998

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C19H15FN4O2/c20-16-4-2-1-3-13(16)7-9-21-19(25)14-5-6-17-22-23-18(24(17)11-14)15-8-10-26-12-15/h1-6,8,10-12H,7,9H2,(H,21,25)
InChIKeyNJRYYQIZVJJQCY-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134797998) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134797998
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2nnc(-c3ccoc3)n2c1
InChIInChI=1S/C19H15FN4O2/c20-16-4-2-1-3-13(16)7-9-21-19(25)14-5-6-17-22-23-18(24(17)11-14)15-8-10-26-12-15/h1-6,8,10-12H,7,9H2,(H,21,25)
InChIKeyNJRYYQIZVJJQCY-UHFFFAOYSA-N
XLogP3.10
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134797998) is N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCc1ccccc1F)c1ccc2nnc(-c3ccoc3)n2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is NJRYYQIZVJJQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-16-4-2-1-3-13(16)7-9-21-19(25)14-5-6-17-22-23-18(24(17)11-14)15-8-10-26-12-15/h1-6,8,10-12H,7,9H2,(H,21,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(furan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134797998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).