3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide

C19H16N4O3S — CID 23559749

IUPAC3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(OC)ccc(-c4cccs4)n3n2)c1
InChIInChI=1S/C19H16N4O3S/c1-25-13-6-3-5-12(11-13)18(24)21-19-20-17-15(26-2)9-8-14(23(17)22-19)16-7-4-10-27-16/h3-11H,1-2H3,(H,21,22,24)
InChIKeyYIEFTJZYISCQBH-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.73
Rot. Bonds5

About 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide

3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide (PubChem CID 23559749) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
PubChem CID23559749
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(OC)ccc(-c4cccs4)n3n2)c1
InChIInChI=1S/C19H16N4O3S/c1-25-13-6-3-5-12(11-13)18(24)21-19-20-17-15(26-2)9-8-14(23(17)22-19)16-7-4-10-27-16/h3-11H,1-2H3,(H,21,22,24)
InChIKeyYIEFTJZYISCQBH-UHFFFAOYSA-N
XLogP3.73
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide (CID 23559749) is 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide is COc1cccc(C(=O)Nc2nc3c(OC)ccc(-c4cccs4)n3n2)c1.
What is the InChIKey of 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
The InChIKey is YIEFTJZYISCQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-13-6-3-5-12(11-13)18(24)21-19-20-17-15(26-2)9-8-14(23(17)22-19)16-7-4-10-27-16/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide has a molecular weight of 380.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 23559749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).