N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

C20H17N5O2 — CID 59437440

IUPACN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc3nc(NC(=O)c4cccnc4)nn3c2)cc(C)c1O
InChIInChI=1S/C20H17N5O2/c1-12-8-16(9-13(2)18(12)26)15-5-6-17-22-20(24-25(17)11-15)23-19(27)14-4-3-7-21-10-14/h3-11,26H,1-2H3,(H,23,24,27)
InChIKeyBZGLPDQGBUWFGN-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.37
Rot. Bonds3

About N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 59437440) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
PubChem CID59437440
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc3nc(NC(=O)c4cccnc4)nn3c2)cc(C)c1O
InChIInChI=1S/C20H17N5O2/c1-12-8-16(9-13(2)18(12)26)15-5-6-17-22-20(24-25(17)11-15)23-19(27)14-4-3-7-21-10-14/h3-11,26H,1-2H3,(H,23,24,27)
InChIKeyBZGLPDQGBUWFGN-UHFFFAOYSA-N
XLogP3.37
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.37
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-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide (CID 59437440) is N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is Cc1cc(-c2ccc3nc(NC(=O)c4cccnc4)nn3c2)cc(C)c1O.
What is the InChIKey of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
The InChIKey is BZGLPDQGBUWFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-8-16(9-13(2)18(12)26)15-5-6-17-22-20(24-25(17)11-15)23-19(27)14-4-3-7-21-10-14/h3-11,26H,1-2H3,(H,23,24,27).
What are the key properties of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide?
N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59437440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).