N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C14H19N5O2S — CID 2622635

IUPACN-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H19N5O2S/c1-10(2)6-7-15-13(21)16-12(20)9-22-14-18-17-11-5-3-4-8-19(11)14/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,16,20,21)
InChIKeyXVPCMLRMRATVSL-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.69
Rot. Bonds6

About N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 2622635) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID2622635
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C14H19N5O2S/c1-10(2)6-7-15-13(21)16-12(20)9-22-14-18-17-11-5-3-4-8-19(11)14/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,16,20,21)
InChIKeyXVPCMLRMRATVSL-UHFFFAOYSA-N
XLogP1.69
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 2622635) is N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is CC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is XVPCMLRMRATVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10(2)6-7-15-13(21)16-12(20)9-22-14-18-17-11-5-3-4-8-19(11)14/h3-5,8,10H,6-7,9H2,1-2H3,(H2,15,16,20,21).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 321.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 2622635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).