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

C16H15FN4O — CID 46367491

IUPAC3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCCNC(=O)c1cccn2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C16H15FN4O/c1-2-9-18-16(22)13-4-3-10-21-14(19-20-15(13)21)11-5-7-12(17)8-6-11/h3-8,10H,2,9H2,1H3,(H,18,22)
InChIKeyUWBIYIDRXSGQJC-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.68
Rot. Bonds4

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

3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46367491) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46367491
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCCNC(=O)c1cccn2c(-c3ccc(F)cc3)nnc12
InChIInChI=1S/C16H15FN4O/c1-2-9-18-16(22)13-4-3-10-21-14(19-20-15(13)21)11-5-7-12(17)8-6-11/h3-8,10H,2,9H2,1H3,(H,18,22)
InChIKeyUWBIYIDRXSGQJC-UHFFFAOYSA-N
XLogP2.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
CID 92733245
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
CID 92733244
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812843
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812845
N-propylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704336
N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764731
2-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-propylbenzamide
CID 24555467
N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121057957
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
2-hydrazinyl-N-propylbenzamide
CID 62238054
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46367491) is 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CCCNC(=O)c1cccn2c(-c3ccc(F)cc3)nnc12.
What is the InChIKey of 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is UWBIYIDRXSGQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-2-9-18-16(22)13-4-3-10-21-14(19-20-15(13)21)11-5-7-12(17)8-6-11/h3-8,10H,2,9H2,1H3,(H,18,22).
What are the key properties of 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46367491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).