N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide

C20H22N4O3 — CID 71453530

IUPACN-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
SMILESCOc1cc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)ccc1O
InChIInChI=1S/C20H22N4O3/c1-27-17-11-14(7-9-16(17)25)15-8-10-18-21-20(23-24(18)12-15)22-19(26)13-5-3-2-4-6-13/h7-13,25H,2-6H2,1H3,(H,22,23,26)
InChIKeyKFVXTFMKEHNJFY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.63
Rot. Bonds4

About N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide

N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide (PubChem CID 71453530) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
PubChem CID71453530
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
SMILESCOc1cc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)ccc1O
InChIInChI=1S/C20H22N4O3/c1-27-17-11-14(7-9-16(17)25)15-8-10-18-21-20(23-24(18)12-15)22-19(26)13-5-3-2-4-6-13/h7-13,25H,2-6H2,1H3,(H,22,23,26)
InChIKeyKFVXTFMKEHNJFY-UHFFFAOYSA-N
XLogP3.63
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide (CID 71453530) is N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide is COc1cc(-c2ccc3nc(NC(=O)C4CCCCC4)nn3c2)ccc1O.
What is the InChIKey of N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
The InChIKey is KFVXTFMKEHNJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-17-11-14(7-9-16(17)25)15-8-10-18-21-20(23-24(18)12-15)22-19(26)13-5-3-2-4-6-13/h7-13,25H,2-6H2,1H3,(H,22,23,26).
What are the key properties of N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide?
N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 71453530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).