4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

C20H17N5OS — CID 39718608

IUPAC4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H17N5OS/c26-20(22-13-19-24-23-18-5-1-2-11-25(18)19)16-6-8-17(9-7-16)27-14-15-4-3-10-21-12-15/h1-12H,13-14H2,(H,22,26)
InChIKeyRMZMAHZSVHWEOD-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.35
Rot. Bonds6

About 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide

4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 39718608) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID39718608
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H17N5OS/c26-20(22-13-19-24-23-18-5-1-2-11-25(18)19)16-6-8-17(9-7-16)27-14-15-4-3-10-21-12-15/h1-12H,13-14H2,(H,22,26)
InChIKeyRMZMAHZSVHWEOD-UHFFFAOYSA-N
XLogP3.35
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521
N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 111448039
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
2-(4-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 40709598
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
tert-butyl N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]carbamate
CID 9474241

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 39718608) is 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is RMZMAHZSVHWEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-20(22-13-19-24-23-18-5-1-2-11-25(18)19)16-6-8-17(9-7-16)27-14-15-4-3-10-21-12-15/h1-12H,13-14H2,(H,22,26).
What are the key properties of 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 375.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 39718608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).