3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C19H14FN5O — CID 46367467

IUPAC3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCc1ccccn1)c1cccn2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)17-23-24-18-16(5-3-11-25(17)18)19(26)22-12-15-4-1-2-10-21-15/h1-11H,12H2,(H,22,26)
InChIKeyCWVTXOGXHVCBRH-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46367467) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46367467
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCc1ccccn1)c1cccn2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)17-23-24-18-16(5-3-11-25(17)18)19(26)22-12-15-4-1-2-10-21-15/h1-11H,12H2,(H,22,26)
InChIKeyCWVTXOGXHVCBRH-UHFFFAOYSA-N
XLogP2.86
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 16675997
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 3590750
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46367467) is 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NCc1ccccn1)c1cccn2c(-c3ccc(F)cc3)nnc12.
What is the InChIKey of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is CWVTXOGXHVCBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)17-23-24-18-16(5-3-11-25(17)18)19(26)22-12-15-4-1-2-10-21-15/h1-11H,12H2,(H,22,26).
What are the key properties of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46367467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).