N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H19N5O2 — CID 166182527

IUPACN-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2ccc3nncn3c2)CC1
InChIInChI=1S/C15H19N5O2/c1-10(21)17-12-3-5-13(6-4-12)18-15(22)11-2-7-14-19-16-9-20(14)8-11/h2,7-9,12-13H,3-6H2,1H3,(H,17,21)(H,18,22)
InChIKeyRNVHZNXOXBILFG-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.91
Rot. Bonds3

About N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166182527) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166182527
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)c2ccc3nncn3c2)CC1
InChIInChI=1S/C15H19N5O2/c1-10(21)17-12-3-5-13(6-4-12)18-15(22)11-2-7-14-19-16-9-20(14)8-11/h2,7-9,12-13H,3-6H2,1H3,(H,17,21)(H,18,22)
InChIKeyRNVHZNXOXBILFG-UHFFFAOYSA-N
XLogP0.91
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166182527) is N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(=O)NC1CCC(NC(=O)c2ccc3nncn3c2)CC1.
What is the InChIKey of N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RNVHZNXOXBILFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(21)17-12-3-5-13(6-4-12)18-15(22)11-2-7-14-19-16-9-20(14)8-11/h2,7-9,12-13H,3-6H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidocyclohexyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166182527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).