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

C14H11Cl2N5OS — CID 2465339

IUPACN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCc1nc(NC(=O)CSc2nnc3ccccn23)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N5OS/c1-8-9(15)6-10(16)13(17-8)18-12(22)7-23-14-20-19-11-4-2-3-5-21(11)14/h2-6H,7H2,1H3,(H,17,18,22)
InChIKeyXRYITOZCCDFYJK-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.47
Rot. Bonds4

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

N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 2465339) has the molecular formula C14H11Cl2N5OS and a molecular weight of 368.25 g/mol. Its IUPAC name is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID2465339
Molecular FormulaC14H11Cl2N5OS
Molecular Weight368.25 g/mol
Exact Mass367.01
IUPAC NameN-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCc1nc(NC(=O)CSc2nnc3ccccn23)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N5OS/c1-8-9(15)6-10(16)13(17-8)18-12(22)7-23-14-20-19-11-4-2-3-5-21(11)14/h2-6H,7H2,1H3,(H,17,18,22)
InChIKeyXRYITOZCCDFYJK-UHFFFAOYSA-N
XLogP3.47
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 2465339) is N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is Cc1nc(NC(=O)CSc2nnc3ccccn23)c(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is XRYITOZCCDFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5OS/c1-8-9(15)6-10(16)13(17-8)18-12(22)7-23-14-20-19-11-4-2-3-5-21(11)14/h2-6H,7H2,1H3,(H,17,18,22).
What are the key properties of N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 368.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 2465339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).