2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C14H11FN4O — CID 9021173

IUPAC2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccccc1F
InChIInChI=1S/C14H11FN4O/c15-11-6-2-1-5-10(11)14(20)16-9-13-18-17-12-7-3-4-8-19(12)13/h1-8H,9H2,(H,16,20)
InChIKeyXFPAZOZQOBKCOX-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.80
Rot. Bonds3

About 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 9021173) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID9021173
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccccc1F
InChIInChI=1S/C14H11FN4O/c15-11-6-2-1-5-10(11)14(20)16-9-13-18-17-12-7-3-4-8-19(12)13/h1-8H,9H2,(H,16,20)
InChIKeyXFPAZOZQOBKCOX-UHFFFAOYSA-N
XLogP1.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 79781563
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
1-(2-fluorophenyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 46531688
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761221
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115497637
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 27848565
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 9021173) is 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is XFPAZOZQOBKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-6-2-1-5-10(11)14(20)16-9-13-18-17-12-7-3-4-8-19(12)13/h1-8H,9H2,(H,16,20).
What are the key properties of 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 270.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 9021173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).