2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide

C24H25N5O2 — CID 70929544

IUPAC2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccc(-c2cccn3nc(Nc4ccccc4)nc23)cc1
InChIInChI=1S/C24H25N5O2/c1-24(2,31)16-25-21(30)15-17-10-12-18(13-11-17)20-9-6-14-29-22(20)27-23(28-29)26-19-7-4-3-5-8-19/h3-14,31H,15-16H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyJIDBELLIBLBFIF-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.57
Rot. Bonds7

About 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide

2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 70929544) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID70929544
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)Cc1ccc(-c2cccn3nc(Nc4ccccc4)nc23)cc1
InChIInChI=1S/C24H25N5O2/c1-24(2,31)16-25-21(30)15-17-10-12-18(13-11-17)20-9-6-14-29-22(20)27-23(28-29)26-19-7-4-3-5-8-19/h3-14,31H,15-16H2,1-2H3,(H,25,30)(H,26,28)
InChIKeyJIDBELLIBLBFIF-UHFFFAOYSA-N
XLogP3.57
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(1-benzylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzoic acid
CID 68571866
4-[[8-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91388480
4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59198980
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929378
N-(2-amino-2-methylpropyl)-4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59199060
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-methyl-2-(methylamino)propyl]benzamide
CID 70943710
2-N-phenyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 110455114

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide (CID 70929544) is 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)Cc1ccc(-c2cccn3nc(Nc4ccccc4)nc23)cc1.
What is the InChIKey of 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is JIDBELLIBLBFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-24(2,31)16-25-21(30)15-17-10-12-18(13-11-17)20-9-6-14-29-22(20)27-23(28-29)26-19-7-4-3-5-8-19/h3-14,31H,15-16H2,1-2H3,(H,25,30)(H,26,28).
What are the key properties of 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 70929544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).