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

C15H15N5O3S — CID 59477042

IUPACN-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)c(C)n2n1
InChIInChI=1S/C15H15N5O3S/c1-9-13(11-6-12(8-16-7-11)24(3,22)23)4-5-14-18-15(17-10(2)21)19-20(9)14/h4-8H,1-3H3,(H,17,19,21)
InChIKeyNHBBRIUKDQYOBQ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.46
Rot. Bonds3

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

N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 59477042) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID59477042
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)c(C)n2n1
InChIInChI=1S/C15H15N5O3S/c1-9-13(11-6-12(8-16-7-11)24(3,22)23)4-5-14-18-15(17-10(2)21)19-20(9)14/h4-8H,1-3H3,(H,17,19,21)
InChIKeyNHBBRIUKDQYOBQ-UHFFFAOYSA-N
XLogP1.46
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 59477042) is N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)c(C)n2n1.
What is the InChIKey of N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is NHBBRIUKDQYOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9-13(11-6-12(8-16-7-11)24(3,22)23)4-5-14-18-15(17-10(2)21)19-20(9)14/h4-8H,1-3H3,(H,17,19,21).
What are the key properties of N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 59477042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).