N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C16H16N4O3 — CID 25128667

IUPACN-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCOc1ccc(-c2ccc3nc(NC(C)=O)nn3c2)cc1OC
InChIInChI=1S/C16H16N4O3/c1-10(21)17-16-18-15-7-5-12(9-20(15)19-16)11-4-6-13(22-2)14(8-11)23-3/h4-9H,1-3H3,(H,17,19,21)
InChIKeyRNJOUVJEMXMEDF-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.37
Rot. Bonds4

About N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 25128667) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID25128667
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCOc1ccc(-c2ccc3nc(NC(C)=O)nn3c2)cc1OC
InChIInChI=1S/C16H16N4O3/c1-10(21)17-16-18-15-7-5-12(9-20(15)19-16)11-4-6-13(22-2)14(8-11)23-3/h4-9H,1-3H3,(H,17,19,21)
InChIKeyRNJOUVJEMXMEDF-UHFFFAOYSA-N
XLogP2.37
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2988155
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CID 715685
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CID 4313559
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CID 4973866
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CID 4197086
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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 25128667) is N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is COc1ccc(-c2ccc3nc(NC(C)=O)nn3c2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is RNJOUVJEMXMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(21)17-16-18-15-7-5-12(9-20(15)19-16)11-4-6-13(22-2)14(8-11)23-3/h4-9H,1-3H3,(H,17,19,21).
What are the key properties of N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 25128667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).