N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H22N4O2 — CID 136521924

IUPACN-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(c1cccn2c(=O)[nH]nc12)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H22N4O2/c25-19(17-12-7-13-23-18(17)21-22-20(23)26)24(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,22,26)
InChIKeyWXDHTQQLCUASKP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.00
Rot. Bonds4

About N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 136521924) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID136521924
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(c1cccn2c(=O)[nH]nc12)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H22N4O2/c25-19(17-12-7-13-23-18(17)21-22-20(23)26)24(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,22,26)
InChIKeyWXDHTQQLCUASKP-UHFFFAOYSA-N
XLogP3.00
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 136521924) is N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(c1cccn2c(=O)[nH]nc12)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is WXDHTQQLCUASKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(17-12-7-13-23-18(17)21-22-20(23)26)24(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,22,26).
What are the key properties of N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 136521924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).