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

C15H13FN4O2 — CID 53166305

IUPAC3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccn3c(C)nnc23)cc1F
InChIInChI=1S/C15H13FN4O2/c1-9-18-19-14-12(4-3-7-20(9)14)17-15(21)10-5-6-13(22-2)11(16)8-10/h3-8H,1-2H3,(H,17,21)
InChIKeyOZGMHAKIDBGRHK-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.44
Rot. Bonds3

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

3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide (PubChem CID 53166305) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
PubChem CID53166305
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccn3c(C)nnc23)cc1F
InChIInChI=1S/C15H13FN4O2/c1-9-18-19-14-12(4-3-7-20(9)14)17-15(21)10-5-6-13(22-2)11(16)8-10/h3-8H,1-2H3,(H,17,21)
InChIKeyOZGMHAKIDBGRHK-UHFFFAOYSA-N
XLogP2.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.44
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-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide (CID 53166305) is 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide is COc1ccc(C(=O)Nc2cccn3c(C)nnc23)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
The InChIKey is OZGMHAKIDBGRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-9-18-19-14-12(4-3-7-20(9)14)17-15(21)10-5-6-13(22-2)11(16)8-10/h3-8H,1-2H3,(H,17,21).
What are the key properties of 3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide?
3-fluoro-4-methoxy-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide has a molecular weight of 300.29 g/mol, XLogP of 2.44, 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-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide is sourced from PubChem (CID 53166305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).