3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H13N5OS — CID 134797852

IUPAC3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nnc(-c3cccnc3)n2c1
InChIInChI=1S/C17H13N5OS/c23-17(19-10-14-4-2-8-24-14)13-5-6-15-20-21-16(22(15)11-13)12-3-1-7-18-9-12/h1-9,11H,10H2,(H,19,23)
InChIKeyIMOZTXRHVFXCKF-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.78
Rot. Bonds4

About 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134797852) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134797852
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nnc(-c3cccnc3)n2c1
InChIInChI=1S/C17H13N5OS/c23-17(19-10-14-4-2-8-24-14)13-5-6-15-20-21-16(22(15)11-13)12-3-1-7-18-9-12/h1-9,11H,10H2,(H,19,23)
InChIKeyIMOZTXRHVFXCKF-UHFFFAOYSA-N
XLogP2.78
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134797852) is 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccs1)c1ccc2nnc(-c3cccnc3)n2c1.
What is the InChIKey of 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is IMOZTXRHVFXCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-17(19-10-14-4-2-8-24-14)13-5-6-15-20-21-16(22(15)11-13)12-3-1-7-18-9-12/h1-9,11H,10H2,(H,19,23).
What are the key properties of 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134797852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).