2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide

C14H13N5OS — CID 9118200

IUPAC2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C14H13N5OS/c1-21-14-10(5-4-7-15-14)13(20)16-9-12-18-17-11-6-2-3-8-19(11)12/h2-8H,9H2,1H3,(H,16,20)
InChIKeySASYVZVCOHBCOY-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.78
Rot. Bonds4

About 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide

2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 9118200) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID9118200
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C14H13N5OS/c1-21-14-10(5-4-7-15-14)13(20)16-9-12-18-17-11-6-2-3-8-19(11)12/h2-8H,9H2,1H3,(H,16,20)
InChIKeySASYVZVCOHBCOY-UHFFFAOYSA-N
XLogP1.78
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 9118200) is 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1nnc2ccccn12.
What is the InChIKey of 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SASYVZVCOHBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-21-14-10(5-4-7-15-14)13(20)16-9-12-18-17-11-6-2-3-8-19(11)12/h2-8H,9H2,1H3,(H,16,20).
What are the key properties of 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 9118200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).