3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide

C14H11FN4O2 — CID 53166268

IUPAC3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccn3cnnc23)cc1F
InChIInChI=1S/C14H11FN4O2/c1-21-12-5-4-9(7-10(12)15)14(20)17-11-3-2-6-19-8-16-18-13(11)19/h2-8H,1H3,(H,17,20)
InChIKeyUMNNQARVCFAXJA-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.13
Rot. Bonds3

About 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide

3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide (PubChem CID 53166268) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
PubChem CID53166268
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccn3cnnc23)cc1F
InChIInChI=1S/C14H11FN4O2/c1-21-12-5-4-9(7-10(12)15)14(20)17-11-3-2-6-19-8-16-18-13(11)19/h2-8H,1H3,(H,17,20)
InChIKeyUMNNQARVCFAXJA-UHFFFAOYSA-N
XLogP2.13
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide (CID 53166268) is 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide is COc1ccc(C(=O)Nc2cccn3cnnc23)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
The InChIKey is UMNNQARVCFAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-21-12-5-4-9(7-10(12)15)14(20)17-11-3-2-6-19-8-16-18-13(11)19/h2-8H,1H3,(H,17,20).
What are the key properties of 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide has a molecular weight of 286.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide is sourced from PubChem (CID 53166268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).