N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide

C18H19N5O3S — CID 168926379

IUPACN-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide
SMILESCc1cc(-c2ccc3nc(NC(=O)C4CCS(=O)(=O)CC4)nn3c2)ccn1
InChIInChI=1S/C18H19N5O3S/c1-12-10-14(4-7-19-12)15-2-3-16-20-18(22-23(16)11-15)21-17(24)13-5-8-27(25,26)9-6-13/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,21,22,24)
InChIKeyWWMQJVLLPFEFFY-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.86
Rot. Bonds3

About N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide

N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide (PubChem CID 168926379) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide
PubChem CID168926379
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide
SMILESCc1cc(-c2ccc3nc(NC(=O)C4CCS(=O)(=O)CC4)nn3c2)ccn1
InChIInChI=1S/C18H19N5O3S/c1-12-10-14(4-7-19-12)15-2-3-16-20-18(22-23(16)11-15)21-17(24)13-5-8-27(25,26)9-6-13/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,21,22,24)
InChIKeyWWMQJVLLPFEFFY-UHFFFAOYSA-N
XLogP1.86
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,9aR)-N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxamide
CID 168926175
N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-4-carboxamide
CID 110471857
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 25127857
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
CID 174087484
CID 174087484
N-(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 170408736
N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25130764
N-(7-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 151866786
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
CID 836596
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
CID 16824889
[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate
CID 90775379
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597468

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide (CID 168926379) is N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide is Cc1cc(-c2ccc3nc(NC(=O)C4CCS(=O)(=O)CC4)nn3c2)ccn1.
What is the InChIKey of N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide?
The InChIKey is WWMQJVLLPFEFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12-10-14(4-7-19-12)15-2-3-16-20-18(22-23(16)11-15)21-17(24)13-5-8-27(25,26)9-6-13/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,21,22,24).
What are the key properties of N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide?
N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 168926379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).